[ CAS No. 112-06-1 ] {[proInfo.proName]}

Name: 112-06-1|Heptyl acetate|99%
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Quality Control of [ 112-06-1 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 112-06-1 ]

CAS No. :	112-06-1	MDL No. :	MFCD00027311
Formula :	C₉H₁₈O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZCZSIDMEHXZRLG-UHFFFAOYSA-N
M.W :	158.24	Pubchem ID :	8159
Synonyms :		Chemical Name :	Heptyl acetate

Safety of [ 112-06-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P210-P280-P370+P378-P403+P235-P501	UN#:	N/A
Hazard Statements:	H227-H315	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 112-06-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 112-06-1 ]

[ 112-06-1 ] Synthesis Path-Downstream 1~46

1
[ 463-51-4 ]
[ 111-70-6 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydrogensulfate

Reference： [1]Ponomarew; Isaew [Zhurnal Obshchei Khimii, 1951, vol. 21, p. 1045,1047,1048;engl.Ausg.S.1143,1145]

2
[ 112-06-1 ]
[ 592-76-7 ]

Yield	Reaction Conditions	Operation in experiment
	at 500 - 525℃; bei der thermischen Zersetzung an Glaswolle;

Reference： [1]Geldof; Wibaut [Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 111] van Pelt; Wibaut [Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 61] Wibaut; van Pelt [Recueil des Travaux Chimiques des Pays-Bas, 1938, vol. 57, p. 1058][Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 61]

3
[ 111-71-7 ]
[ 108-24-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	With nickel; toluene-4-sulfonic acid at 110℃; Hydrogenation;

Reference： [1]Current Patent Assignee: L'AIR LIQUIDE - US2843607, 1954, A

4
[ 4282-40-0 ]
[ 127-08-2 ]
[ 64-19-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	at 180℃;

Reference： [1]Cross [Justus Liebigs Annalen der Chemie, 1877, vol. 189, p. 4]

5
[ 111-70-6 ]
[ 75-36-5 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
90%	With zinc(II) oxide at 20℃; for 0.166667h;
88%	With ZnAl₂O₄ nanoparticles at 20℃; for 0.433333h; Neat (no solvent);
	With diethyl ether; magnesium

With sodium hydride 1.) 2 h, reflux, 2.) 1 h, reflux; Multistep reaction;

Reference： [1]Hosseini Sarvari, Mona; Sharghi, Hashem [Tetrahedron, 2005, vol. 61, # 46, p. 10903 - 10907]
[2]Location in patent: scheme or table Farhadi, Saeid; Panahandehjoo, Somayeh [Applied Catalysis A: General, 2010, vol. 382, # 2, p. 293 - 302]
[3]van Pelt; Wibaut [Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 61] Wibaut; van Pelt [Recueil des Travaux Chimiques des Pays-Bas, 1938, vol. 57, p. 1058][Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 61]
[4]Begtrup, Mikael [Journal of the Chemical Society. Perkin transactions II, 1983, # 11, p. 1609 - 1618]

6
[ 534-15-6 ]
[ 74-85-1 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide

Reference： [1]Safiev,O.G. et al. [Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1979, vol. 28, p. 2313 - 2316][Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1979, vol. 28, p. 2499 - 2502]

7
[ 88591-23-5 ]
[ 108-24-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; acetic acid

Reference： [1]Mamedov,S.; Nizker,I. [Journal of general chemistry of the USSR, 1964, vol. 34, p. 1836 - 1842][Zhurnal Obshchei Khimii, 1964, vol. 34, # 6, p. 1824 - 1830]

8
[ 16156-51-7 ]
[ 3396-11-0 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
94%	In N,N-dimethyl-formamide at 25℃; for 32h;

Reference： [1]Huffman, John W.; Desai, Ranjit C. [Synthetic Communications, 1983, vol. 13, # 7, p. 553 - 558]

9
[ 592-41-6 ]
[ 109-87-5 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide at 150℃; Further byproducts given;

Reference： [1]Safiev, O. G.; Zorin, V. V.; Imashev, U. B.; Zlotskii, S. S.; Terent'ev, A. B.; Rakhmankulov, D. L. [Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, # 7, p. 1192 - 1195][Zhurnal Organicheskoi Khimii, 1980, vol. 16, # 7, p. 1388 - 1392]

10
[ 534-15-6 ]
[ 74-85-1 ]
[ 59198-83-3 ]
[ 112-06-1 ]
[ 54532-15-9 ]
[ 73142-32-2 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl peroxide at 140℃; for 4h; autoclave; Further byproducts given;

11
[ 79552-28-6 ]
[ 111-71-7 ]
[ 629-06-1 ]
[ 110-54-3 ]
[ 142-82-5 ]
[ 112-06-1 ]
[ 79552-30-0 ]

Yield	Reaction Conditions	Operation in experiment
	With chloroform; di-tert-butyl peroxide at 130℃; other temperature;

Reference： [1]Rol'nik, L. Z.; Kalashnikov, S. M.; Pastushenko, E. V.; Zlot-skii, S. S.; Rakhmankulov, D. L. [Journal of Organic Chemistry USSR (English Translation), 1981, p. 1415 - 1419][Zhurnal Organicheskoi Khimii, 1981, vol. 17, # 8, p. 1594 - 1598]

12
[ 111-68-2 ]
[ 111-70-6 ]
[ 112-06-1 ]
[ 85944-12-3 ]

Yield	Reaction Conditions	Operation in experiment
1: 38% 2: 4% 3: 27%	With lithium perchlorate; cis-nitrous acid; acetic acid In diethyl ether at 25℃; for 1h;

Reference： [1]Zefirov, N. S.; Koz'min, A. S.; Kirin, V. N.; Yur'eva, N. M.; Zhdankin, V. V. [Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1982, vol. 31, # 11, p. 2330][Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1982, # 11, p. 2634]

13
[ 821-55-6 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
89.8%	With D-(+)-glucose In aq. buffer at 15℃; for 16h;	2.5 Biotransformations using whole cells and crude cell extract General procedure: Whole-cell biotransformations were performed using both growing and resting cells. For growing cells, 2 ml TB medium in a 15 ml Falcon tube was inoculated with a pre-culture of E. coli BL21-CodonPlus(DE3)-RP cells containing the recombinant plasmid with the BVMO gene. The cells were grown for 3 h at 30 °C and with shaking at 150 rpm. Immediately after adding IPTG, the biotransformation reaction was initiated by adding the substrate to a final concentration of 5 mM. To boost the regeneration of NADPH, glucose (25 mM) was also added at the moment of induction. Biotransformations were carried out for 16 h at 15 °C and at a shake rate of 150 rpm. The level of conversion was measured by comparing E. coli BL21-CodonPlus(DE3)-RP expressing BVMO3 with cells from the same E. coli strain carrying pET-22b(+) without the BVMO3 gene, that served also as a blank for side reactions.
80%	With water; fluorine; acetonitrile In chloroform at -10 - 0℃; for 4h;
	With phosphite dehydrogenase; Cyanidioschyzon merolae strain 10D (NIES-1332) Baeyer-Villiger monooxygenase; Phosphate; NADPH In 1,4-dioxane at 25℃; Enzymatic reaction; regioselective reaction;	2.7 Conversions and GC/GC-MS analysis For GC and GC-MS analysis, samples of 500μl 50mM Tris-HCl (pH 7.5) containing 2mM substrate, 5% dioxane, 100μM NADPH, 3.0μM PTDH, 10mM phosphite and 1μM BVMO were incubated shaking at 25°C from 1 to 20h. The reactions were stopped by extraction with ethyl acetate (3×0.5ml, including 0.1% mesitylene as an internal standard), dried with magnesium sulfate and analyzed directly by GC or GC-MS [5] to determine the degree of conversion.

With baeyer-villiger monooxygenases 5 In ethanol at 24℃; for 24h; Enzymatic reaction;

Reference： [1]Bisagni, Serena; Smus̈, Justyna; Chávez, Georgina; Hatti-Kaul, Rajni; Mamo, Gashaw [Journal of Molecular Catalysis B: Enzymatic, 2014, vol. 109, p. 161 - 169]
[2]Rozen, Shlomo; Bareket, Yifat; Kol, Moshe [Tetrahedron, 1993, vol. 49, # 36, p. 8169 - 8178]
[3]Beneventi, Elisa; Niero, Mattia; Motterle, Riccardo; Fraaije, Marco; Bergantino, Elisabetta [Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 98, p. 145 - 154]
[4]Bianchi, Dario A.; Carabajal, María Ayelén; Ceccoli, Romina D.; Rial, Daniela V. [Molecular catalysis, 2020, vol. 486]

14
[ 112-06-1 ]
[ 142-82-5 ]
[ 111-70-6 ]

Yield	Reaction Conditions	Operation in experiment
1: 30% 2: 56%	With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; <i>tert</i>-butyl alcohol

Reference： [1]Deshayes, Henri; Pete, Jean-Pierre [Canadian Journal of Chemistry, 1984, vol. 62, p. 2063 - 2072]

15
[ 112-06-1 ]
[ 84077-93-0 ]
[ 84077-94-1 ]
[ 84077-95-2 ]
[ 84077-96-3 ]
[ 30316-05-3 ]

Yield	Reaction Conditions	Operation in experiment
	With N-chloropiperidine; 2,2'-azobis(isobutyronitrile) In trifluoroacetic acid at 30℃; Irradiation; relative rate constants, position selectivity, substrate selectivity;

Reference： [1]Dneprovskii, A. S.; Mil'tsov, S. A.; Arbuzov, P. V. [Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 10, p. 1826 - 1835][Zhurnal Organicheskoi Khimii, 1988, vol. 24, # 10, p. 2026 - 2037]

16
[ 112-06-1 ]
[ 84077-93-0 ]
[ 84077-94-1 ]
[ 84077-95-2 ]
[ 84077-96-3 ]
[ 30316-05-3 ]
Acetic acid 2-chloro-heptyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuryl dichloride; dibenzoyl peroxide at 60℃; other reagents, other temperature, other solvent;

Reference： [1]Korhonen, Ilpo O. O. [Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1983, vol. 37, # 1, p. 39 - 46]

17
[ 111-68-2 ]
[ 64-19-7 ]
[ 111-70-6 ]
[ 112-06-1 ]
[ 85944-12-3 ]

Yield	Reaction Conditions	Operation in experiment
	With lithium perchlorate; cis-nitrous acid In diethyl ether at 25℃; for 1h; various alkylamines;

18
[ 64-19-7 ]
[ 86724-18-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	With mercury(II) diacetate for 15h; Ambient temperature;

Reference： [1]Gasparrini, F.; Caglioti, L.; Misiti, D.; Palmieri, G.; Ballini,R. [Tetrahedron, 1982, vol. 38, # 24, p. 3609 - 3613]

19
[ 111-70-6 ]
[ 108-24-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
100%	In acetonitrile at 20℃; for 0.416667h;
100%	With boron trifluoride diethyl etherate In ethyl acetate for 0.00138889h;
99%	With bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.0833333h;

99%	With tin(IV) tetraphenylporphyrin perchlorate at 20℃; for 0.0833333h;
99%	for 0.25h; Heating;
99%	With SBA-15-Ph-Pr-SO₃H at 20℃; for 0.05h;
97%	With silica gel for 0.05h; Microwave irradiation; neat (no solvent);
96%	With silica gel-supported phosphotungstic acid In chloroform at 20℃; for 0.05h;
93%	With pyridine at 20℃; for 4h; Inert atmosphere;
92%	With vitamin B1 supported on silica-encapsulated γ-Fe2O3 nanoparticles In neat (no solvent) at 20℃; for 1.33333h; Green chemistry;
91%	With silica sulfate In chloroform at 20℃; for 0.0333333h;
89%	In neat (no solvent) at 60℃; for 2h;
95 % Chromat.	With K5<CoW12O40> at 20℃; for 0.0833333h;
100 %Chromat.	With [Ti(IV)(salophen)(OTf)2] In dichloromethane at 20℃; for 0.0166667h;
98 %Chromat.	With 5,10,15,20-tetraphenylporphyrinatovanadium(IV) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.0166667h;
100 %Chromat.	With [SnIV(TNH₂PP)(OTf)2]*CMP In acetonitrile at 20℃; for 0.1h;
88 %Spectr.	With decamolybdodivanadogermanic acid nanoparticles at 24.84℃; for 0.133333h; Neat (no solvent);
100 %Chromat.	With [tetrabutylammonium]₈ 5,10,15,20-tetrakis(4-hexamolybdato)-porphyrinatotin(IV) chloride In acetonitrile at 20℃; for 0.0666667h;
97 %Chromat.	With sulfonated ordered mesoporous carbon (CMK-5-SO₃H) In neat (no solvent) at 20℃; for 0.166667h; Green chemistry;
> 99 %Spectr.	With colloidal gold nanoparticle-supported gadolinium complex In N,N-dimethyl-formamide for 0.0166667h; Microwave irradiation;	MW-Assisted RS-Au-L-Gd (3)-Catalyzed Acetylation of Alcohols General procedure: A mixture of colloidal AuNP-surface-bound Gd catalyst RS-Au-L-Gd (3)(2.0×10-3mmol Gd), alcohol (0.5 mmol), and acetic anhydride (5 mmol) in DMF (80 µL) was placed in the reaction vessel under 300 W MW (CEM single-mode Discover Labmate System) for 60 s. After the reaction, the resulting mixture was used directly for 1H NMR analysis for the analytic yield.

Reference： [1]Habibi, Mohammad H.; Tangestaninejad, Shahram; Mirkhani, Valiollah; Yadollahi, Bahram [Monatshefte fur Chemie, 2002, vol. 133, # 3, p. 323 - 327]
[2]Martinez-Pascual, Roxana; Vinas-Bravo, Omar; Meza-Reyes, Socorro; Iglesias-Arteaga, Martin A.; Sandoval-Ramirez, Jesus [Synthetic Communications, 2004, vol. 34, # 24, p. 4591 - 4596]
[3]Mohammadpoor-Baltork, Iraj; Aliyan, Hamid; Reza Khosropour, Ahmad [Tetrahedron, 2001, vol. 57, # 27, p. 5851 - 5854]
[4]Tangestaninejad, Shahram; Habibi, Mohammad Hossein; Mirkhani, Valiollah; Moghadam, Majid [Synthetic Communications, 2002, vol. 32, # 9, p. 1337 - 1343]
[5]Mirkhani, Valiollah; Tangestaninejad, Shahram; Moghadam, Majid; Yadollahi, Bahram; Alipanah, Ladan [Monatshefte fur Chemie, 2004, vol. 135, # 10, p. 1257 - 1263]
[6]Location in patent: experimental part Zareyee, Daryoush; Ghadikolaee, Abdollah Razaghi; Khalilzadeh, Mohammad A. [Canadian Journal of Chemistry, 2012, vol. 90, # 5, p. 464 - 468]
[7]Location in patent: experimental part Veisi, Hojat; Ghorbani-Vaghei, Ramin; Eskandari, Hosna; Hemmati, Saba; Rezaei, Ardashir; Hajinazari, Somaye; Far, Mohammad Raoof Heidari; Entezari, Azam [Phosphorus, Sulfur and Silicon and the Related Elements, 2011, vol. 186, # 2, p. 213 - 219]
[8]Jin, Tong-Shou; Xiao, Jin-Chong; Wang, Zhen-Hua; Li, Tong-Shuang [Journal of Chemical Research - Part S, 2003, # 7, p. 412 - 414]
[9]Álvarez-Calero, José María; Jorge, Zacarías D.; Massanet, Guillermo M. [Organic Letters, 2016, vol. 18, # 24, p. 6344 - 6347]
[10]Azizi, Kobra; Heydari, Akbar [RSC Advances, 2014, vol. 4, # 17, p. 8812 - 8816]
[11]Jin, Tong-Shou; Zhao, Ying; Liu, Li-Bin; Chen, Zhuo; Li, Tong-Shuang [Synthetic Communications, 2006, vol. 36, # 9, p. 1221 - 1227]
[12]Ballini, Roberto; Bosica, Giovanna; Carloni, Silvia; Ciaralli, Lara; Maggi, Raimondo; Sartori, Giovanni [Tetrahedron Letters, 1998, vol. 39, # 33, p. 6049 - 6052]
[13]Habibi; Tangestaninejad; Mirkhani; Yadollahi [Synthetic Communications, 2002, vol. 32, # 6, p. 863 - 867]
[14]Location in patent: experimental part Yadegari, Maryam; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Mohammadpoor-Baltork, Iraj [Polyhedron, 2011, vol. 30, # 13, p. 2237 - 2243]
[15]Location in patent: experimental part Taghavi, S. Abdolmanaf; Moghadam, Majid; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza [Inorganica Chimica Acta, 2011, vol. 377, # 1, p. 159 - 164]
[16]Location in patent: scheme or table Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Mohammadpoor-Baltork, Iraj; Gharaati, Shadab [Comptes Rendus Chimie, 2011, vol. 14, # 12, p. 1080 - 1087]
[17]Location in patent: experimental part Farhadi, Saeid; Zareisahamieh, Reza; Zaidi, Masoumeh [Journal of the Brazilian Chemical Society, 2011, vol. 22, # 7, p. 1323 - 1332]
[18]Araghi, Mehdi; Mirkhani, Valiollah; Moghadam, Majid; Tangestaninejad, Shahram; Mohammdpoor-Baltork, Iraj [Dalton Transactions, 2012, vol. 41, # 38, p. 11745 - 11752]
[19]Zareyee, Daryoush; Alizadeh, Parastoo; Ghandali, Mohammad S.; Khalilzadeh, Mohammad A. [Chemical Papers, 2013, vol. 67, # 7, p. 713 - 721]
[20]Chang, Tsao-Ching; Yu, Shuchun Joyce [Synthetic Communications, 2015, vol. 45, # 5, p. 661 - 672]

Yield	Reaction Conditions	Operation in experiment
	Pyrolyse ( 450grad ) ---> Olefin-(1) (49percent), trans-Olefin-(2) ( 33percent) und cis- Olefin-(2) (18percent);
	Hg-sensibil. UV-Fotolyse (2537A) in fl.Phase;
	Rk. m. Decen-(1) (Di-tert.- butylperoxid; 135-160grad) ----> Dodecansaeureheptylester;

	E (Solvation);
	Hydrolyse in Gegenwart von Acetylcholinesterase: Geschw.Konst. k(II);
	Alk. Hydrolyse;
	Alk. Hydrolyse;
	der Hydrolyse <katalysiert durch Butyryl-cholinesterase>: k(II);
	der Hydrolyse <katalysiert durch Butyryl-cholinesterase>;
	With hydroxide In 1,4-dioxane; water at 20℃;
	With nitric acid In water; acetone at 35℃; ΔH(excit), ΔS(excit), acid hydrolysis reactions at different temperature and different Vol.-ratio of the solvents;

22
[ 112-06-1 ]
[ 84077-93-0 ]
[ 84077-94-1 ]
[ 84077-95-2 ]
[ 84077-96-3 ]
[ 30316-05-3 ]
Acetic acid 2-chloro-heptyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With chlorine In neat (no solvent) Ambient temperature; chlorine substitution on the alcoholic chain of aliphatic C₂-C₈ n-alkyl acetates, chloroacetates, dichloroacetates and trichloroacetates; formation of monochloro isomers;

Reference： [1]Kophornen, Ilpo O. O. [Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1982, vol. 36, # 10, p. 721 - 724]

23
[ 18132-93-9 ]
[ 108-24-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
97%	In acetonitrile at 20℃; for 0.25h;
80%	With montmorillonite K-10 In dichloromethane for 3h;
80%	at 20℃; for 0.2h;

Reference： [1]Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad R. [Monatshefte fur Chemie, 2002, vol. 133, # 2, p. 189 - 193]
[2]Movassagh; Lakouraj; Fasihi [Journal of Chemical Research - Part S, 2000, # 7, p. 348 - 349]
[3]Jin, Tong-Shou; Li, Yan-Wei; Sun, Guang; Li, Tong-Shuang [Journal of Chemical Research - Part S, 2003, # 2, p. 98 - 100]

24
[ 111-70-6 ]
[ 64-19-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
99%	With bismuth(lll) trifluoromethanesulfonate at 20℃; for 0.5h;
98%	With K5<CoW12O40> for 0.5h; Heating;
73%	With zinc(II) oxide for 3h; Reflux;	Acetylation of alcohols General procedure: To a mixture of acetic acid (5 mL) and alcohol (1 mmol), ZnO nanopowder (0.05 mmol) was added. The mixture was stirred vigorously under reflux conditions for 3 hr. The reaction was monitored by TLC (CCl4: EtOAc, 4:1). Then, the reaction mixture was washed with an aqueous solution of sodium bicarbonate (20%) and filtered. The filtrate was extracted with ether (3 × 50 mL), washed with H2O (3× 10 mL) and dried over anhydrous magnesium sulfate. Evaporation of solvent under reduced pressure gave the desired acetate in specified yield (Table I). All the acetates were known and characterized according to their IR, 13C and 1H NMR spectra.

	With graphene oxide GrO₅₀₀₀ at 100℃; for 4h;
98 %Chromat.	With graphene oxide GrO₅₀₀₀ at 100℃; for 4h;
	With Fe₃O₄/AlFe/Te nanocomposite In neat (no solvent) for 1h; Reflux;

Reference： [1]Mohammadpoor-Baltork; Khosropour; Aliyan [Journal of Chemical Research - Part S, 2001, # 7, p. 280 - 282]
[2]Habibi, Mohammad H; Tangestaninejad, Shahram; Mirkhani, Valiollah; Yadollahi, Bahram [Tetrahedron, 2001, vol. 57, # 39, p. 8333 - 8337]
[3]Javaherian, Mohammad; Sabzi, Hashem Eskandari [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53, # 5, p. 631 - 634]
[4]Mungse, Harshal P.; Bhakuni, Niharika; Tripathi, Deependra; Sharma, Om P.; Sain, Bir; Khatri, Om P. [Journal of Physical Organic Chemistry, 2014, vol. 27, # 12, p. 944 - 951]
[5]Mungse, Harshal P.; Bhakuni, Niharika; Tripathi, Deependra; Sharma, Om P.; Sain, Bir; Khatri, Om P. [Journal of Physical Organic Chemistry, 2014, vol. 27, # 12, p. 944 - 951]
[6]Alavi, Seyed Jamal; Sadeghian, Hamid; Seyedi, Seyed Mohammad; Eshghi, Hossein; Salimi, Alireza [Applied Organometallic Chemistry, 2018, vol. 32, # 3]

25
[ 111-70-6 ]
[ 141-78-6 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
93%	With K5<CoW12O40> for 2h; Heating;
85%	With potassium carbonate for 1h; Reflux;
83%	at 65 - 70℃; for 2h;

Reference： [1]Habibi, Mohammad H; Tangestaninejad, Shahram; Mirkhani, Valiollah; Yadollahi, Bahram [Tetrahedron, 2001, vol. 57, # 39, p. 8333 - 8337]
[2]Location in patent: experimental part Mallesha; Rao, S. Prahlada; Suhas; Gowda, D. Channe [Journal of Chemical Research, 2011, vol. 35, # 9, p. 536 - 539]
[3]Tayebee, Reza; Alizadeh, Mohammad H. [Monatshefte fur Chemie, 2006, vol. 137, # 8, p. 1063 - 1069]

26
[ 108-24-7 ]
[ 132336-04-0 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
96%	In acetonitrile for 0.583333h; Heating;
70 % Chromat.	at 20℃; for 0.216667h;

Reference： [1]Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad R. [Monatshefte fur Chemie, 2002, vol. 133, # 2, p. 189 - 193]
[2]Rafiee; Tangestaninejad; Habibi; Mohammadpoor-Baltork; Mirkhani [Russian Journal of Organic Chemistry, 2005, vol. 41, # 3, p. 393 - 395]

27
[ 111-70-6 ]
[ 4163-60-4 ]
[ 112-06-1 ]
heptyl 3,4,6-tri-O-acetyl-α-D-galactopyranoside [ No CAS ]
heptyl 2,3,4,6-tetra-O-acetyl-α-D-galactopyranoside [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 4 A molecular sieve; tin(IV) chloride In dichloromethane at 20℃; for 70h;

Reference： [1]Konstantinović; Dimitrijević; Radulović [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 3, p. 598 - 603]

28
[ 75-36-5 ]
[ 132336-04-0 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
75%	With montmorillonite K-10 In chloroform at 20℃; for 0.5h;

Reference： [1]Movassagh, Barahman; Atrak, Kobra [Synthetic Communications, 2003, vol. 33, # 22, p. 3907 - 3912]

29
[ 112-06-1 ]
[ 64-19-7 ]
[ 39846-58-7 ]
[ 1576-76-7 ]
[ 39846-60-1 ]
Acetic acid 5-acetoxy-1-ethyl-pentyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-hydroxyphthalimide; iodine; nitric acid at 100℃; for 5h; Further byproducts. Title compound not separated from byproducts.;

Reference： [1]Minisci, Francesco; Porta, Ombretta; Recupero, Francesco; Gambarotti, Cristian; Paganelli, Roberto; Pedulli, Gian Franco; Fontana, Francesca [Tetrahedron Letters, 2004, vol. 45, # 8, p. 1607 - 1609]

30
[ 111-70-6 ]
[ 604-69-3 ]
[ 162489-61-4 ]
[ 112-06-1 ]
[ 28245-00-3 ]

Yield	Reaction Conditions	Operation in experiment
	With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 100h;

Reference： [1]Petrovic, Zorica; Konstantinovic, Stanimir; Spasojevic, Aleksandra [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004, vol. 43, # 1, p. 132 - 134]

31
[ 64-19-7 ]
[ 132336-04-0 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
96 % Chromat.	for 2h; Heating;

Reference： [1]Rafiee; Tangestaninejad; Habibi; Mohammadpoor-Baltork; Mirkhani [Russian Journal of Organic Chemistry, 2005, vol. 41, # 3, p. 393 - 395]

32
[ 141-78-6 ]
[ 132336-04-0 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
95 % Chromat.	for 6h; Heating;

Reference： [1]Rafiee; Tangestaninejad; Habibi; Mohammadpoor-Baltork; Mirkhani [Russian Journal of Organic Chemistry, 2005, vol. 41, # 3, p. 393 - 395]

33
[ 108-05-4 ]
[ 111-70-6 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
89%	at 20℃; for 4h;

Reference： [1]Bosco, J.W. John; Agrahari, Aditya; Saikia, Anil K. [Tetrahedron Letters, 2006, vol. 47, # 24, p. 4065 - 4068]

34
[ 111-70-6 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 99 percent / Et₃N / CH₂Cl₂ / 0 °C 2: 94 percent / dimethylformamide / 32 h / 25 °C
	Multi-step reaction with 2 steps 1: 1-butyl-3-methylimidazolium tetrachloroindate / 0.05 h / Microwave irradiation 2: 1-butyl-3-methylimidazolium tetrachloroindate / 0.06 h / 145 - 150 °C / Microwave irradiation
	Multi-step reaction with 2 steps 1: 1-butyl-3-methylimidazolium tetrachloroindate / 0.05 h / Microwave irradiation 2: 1-butyl-3-methylimidazolium tetrachloroindate / 0.06 h / 145 - 150 °C / Microwave irradiation

	Multi-step reaction with 2 steps 1: 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] / 0.01 h / 75 - 82 °C / Microwave irradiation 2: 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] / 0.03 h / 120 - 130 °C / Microwave irradiation
	Multi-step reaction with 2 steps 1: 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] / 0.01 h / 75 - 82 °C / Microwave irradiation 2: 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] / 0.03 h / 120 - 130 °C / Microwave irradiation

Reference： [1]Huffman, John W.; Desai, Ranjit C. [Synthetic Communications, 1983, vol. 13, # 7, p. 553 - 558]
[2]Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Mirjafari, Arsalan [Comptes Rendus Chimie, 2011, vol. 14, # 6, p. 568 - 579]
[3]Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Mirjafari, Arsalan [Comptes Rendus Chimie, 2011, vol. 14, # 6, p. 568 - 579]
[4]Mohammadpoor-Baltork; Moghadam; Tangestaninejad; Mirkhani; Khosropour; Mirjafari [Journal of the Iranian Chemical Society, 2011, vol. 8, # 2, p. 513 - 524]
[5]Mohammadpoor-Baltork; Moghadam; Tangestaninejad; Mirkhani; Khosropour; Mirjafari [Journal of the Iranian Chemical Society, 2011, vol. 8, # 2, p. 513 - 524]

35
[ 52718-79-3 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: B₂H₆ 2: Hg(AcO)2 / 15 h / Ambient temperature

Reference： [1]Gasparrini, F.; Caglioti, L.; Misiti, D.; Palmieri, G.; Ballini,R. [Tetrahedron, 1982, vol. 38, # 24, p. 3609 - 3613]

36
[ 49791-06-2 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: PhNMe₂ 2: AcOH, H₂SO₄

Reference： [1]Mamedov,S.; Nizker,I. [Journal of general chemistry of the USSR, 1964, vol. 34, p. 1836 - 1842][Zhurnal Obshchei Khimii, 1964, vol. 34, # 6, p. 1824 - 1830]

37
[ 112-06-1 ]
vanadyl phosphate intercalated with 2-propanol [ No CAS ]
vanadyl phosphate intercalated with heptyl acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In not given react. at 105 °C in 4 h; amt. of intercalated heptyl acetate not given;

Reference： [1]Melánová, Klára; Beneš, Ludvík; Svoboda, Jan; Zima, Vítězslav [Journal of Physics and Chemistry of Solids, 2007, vol. 68, # 5-6, p. 765 - 769]

38
[ 182056-13-9 ]
[ 108-24-7 ]
[ 762-72-1 ]
[ 52426-82-1 ]
[ 112-06-1 ]
[ 1253279-30-9 ]

Yield	Reaction Conditions	Operation in experiment
21%	With bismuth(III) bromide at 20℃; for 2.16667h; Inert atmosphere;

Reference： [1]Krabbe, Scott W.; Angeles, Veronica V.; Mohan, Ram S. [Tetrahedron Letters, 2010, vol. 51, # 43, p. 5643 - 5645]

39
[ 112-06-1 ]
[ 44961-22-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium azide In tetrahydrofuran; water for 8h; Reflux;

Reference： [1]Location in patent: experimental part Swetha; Ramana, P. Venkata; Shirodkar [Organic Preparations and Procedures International, 2011, vol. 43, # 4, p. 348 - 353]

40
[ 1058649-58-3 ]
[ 108-24-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
93%	With 1-butyl-3-methylimidazolium tetrachloroindate at 145 - 150℃; for 0.0583333h; Microwave irradiation;
91%	With 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] at 120 - 130℃; for 0.0333333h; Microwave irradiation;

Reference： [1]Location in patent: experimental part Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Mirjafari, Arsalan [Comptes Rendus Chimie, 2011, vol. 14, # 6, p. 568 - 579]
[2]Location in patent: experimental part Mohammadpoor-Baltork; Moghadam; Tangestaninejad; Mirkhani; Khosropour; Mirjafari [Journal of the Iranian Chemical Society, 2011, vol. 8, # 2, p. 513 - 524]

41
[ 71739-40-7 ]
[ 108-24-7 ]
[ 112-06-1 ]

Yield	Reaction Conditions	Operation in experiment
93%	With 1-butyl-3-methylimidazolium tetrachloroindate at 145 - 150℃; for 0.0583333h; Microwave irradiation;
91%	With 12-tungstophosphoric acid immobilized on [bmim][FeCl₄] at 120 - 130℃; for 0.0333333h; Microwave irradiation;

42
[ 111-70-6 ]
[ 22352-19-8 ]
[ 112-06-1 ]
[ 1206763-64-5 ]
hepta-O-acetyl-α-maltosyl chloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tin(IV) chloride In dichloromethane for 1h; Molecular sieve; Inert atmosphere;

Reference： [1]Location in patent: experimental part Markovic, Zoran; Predojevic, Jasmina; Manojlovic, Nedeljko T. [Bulletin of the Chemical Society of Ethiopia, 2011, vol. 25, # 1, p. 83 - 90]

43
[ 111-70-6 ]
[ 22352-19-8 ]
[ 112-06-1 ]
C₃₁H₄₈O₁₇ [ No CAS ]
1-heptyl-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranoside [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tin(IV) chloride In dichloromethane for 72h; Molecular sieve; Inert atmosphere;

Reference： [1]Location in patent: experimental part Markovic, Zoran; Predojevic, Jasmina; Manojlovic, Nedeljko T. [Bulletin of the Chemical Society of Ethiopia, 2011, vol. 25, # 1, p. 83 - 90]

44
[ 112-06-1 ]
[ 111-70-6 ]
[ 64-19-7 ]

Yield	Reaction Conditions	Operation in experiment
	With lipase from Pseudozyma hubeiensis SY₆₂; water

Reference： [1]Park, Seongsoon [Bulletin of the Korean Chemical Society, 2016, vol. 37, # 10, p. 1720 - 1723]

45
[ 112-06-1 ]
[ 109-94-4 ]
n-heptyl (E)-3-ethoxyacrylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%	With titanium tetrachloride; triethylamine In dichloromethane at -20℃; for 1h; Inert atmosphere;

Reference： [1]Álvarez-Calero, José María; Jorge, Zacarías D.; Massanet, Guillermo M. [Organic Letters, 2016, vol. 18, # 24, p. 6344 - 6347]

46
[ 491-36-1 ]
[ 112-06-1 ]
[ 1352945-74-4 ]

Yield	Reaction Conditions	Operation in experiment
50%	With trifluorormethanesulfonic acid; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; lithium bromide In water at 60℃; for 60h; Irradiation; Inert atmosphere;

Reference： [1]Deng, Guo-Jun; Huang, Huawen; Shi, Hang; Wang, Chunlian [Organic and Biomolecular Chemistry, 2021, vol. 19, # 42, p. 9177 - 9181]

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P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
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P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
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P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 112-06-1 ] {[proInfo.proName]}

Quality Control of [ 112-06-1 ]

Related Doc. of [ 112-06-1 ]

Product Details of [ 112-06-1 ]

Safety of [ 112-06-1 ]

Application In Synthesis of [ 112-06-1 ]

[ 112-06-1 ] Synthesis Path-Downstream 1~46

Related Functional Groups of [ 112-06-1 ]

Aliphatic Chain Hydrocarbons

Esters

Precautionary Statements-General

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Response

Storage

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Health hazards

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Related Functional Groups of
[ 112-06-1 ]