[ CAS No. 17022-31-0 ]

Name: 17022-31-0|Ethyl 2-propylpentanoate|95%
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Quality Control of [ 17022-31-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 17022-31-0 ]

SDS Specification

Alternatived Products of [ 17022-31-0 ]

Product Details of [ 17022-31-0 ]

CAS No. :	17022-31-0	MDL No. :	MFCD00870991
Formula :	C₁₀H₂₀O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WIKWUBHEBLFWHH-UHFFFAOYSA-N
M.W :	172.26	Pubchem ID :	83946
Synonyms :

Calculated chemistry of [ 17022-31-0 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.9
Num. rotatable bonds :	7
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	51.47
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	3.32
Log Po/w (WLOGP) :	2.77
Log Po/w (MLOGP) :	2.58
Log Po/w (SILICOS-IT) :	2.61
Consensus Log Po/w :	2.87

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.54
Solubility :	0.5 mg/ml ; 0.0029 mol/l
Class :	Soluble
Log S (Ali) :	-3.55
Solubility :	0.0487 mg/ml ; 0.000283 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.8
Solubility :	0.274 mg/ml ; 0.00159 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.83

Safety of [ 17022-31-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P210-P264-P280-P302+P352-P321-P332+P313-P362-P370+P378-P403+P235-P501	UN#:	N/A
Hazard Statements:	H227-H315	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 17022-31-0 ]

* 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 [ 17022-31-0 ]

[ 17022-31-0 ] Synthesis Path-Downstream 1~28

1
[ 64-17-5 ]
[ 99-66-1 ]
[ 17022-31-0 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride
	With sulfuric acid at 80℃; for 0.5h;

Reference： [1]Koller; Kandler [Monatshefte fur Chemie, 1931, vol. 58, p. 234]
[2]Giofrè, Sabrina; Molteni, Letizia; Nava, Donatella; Lo Presti, Leonardo; Beccalli, Egle Maria [Angewandte Chemie - International Edition, 2021, vol. 60, # 40, p. 21723 - 21727][Angew. Chem., 2021, vol. 133, # 40, p. 21891 - 21895]

2
[ 17022-31-0 ]
[ 58175-57-8 ]

Yield	Reaction Conditions	Operation in experiment
	With ethanol; sodium at 100 - 110℃;

Reference： [1]Koller; Kandler [Monatshefte fur Chemie, 1931, vol. 58, p. 234]

3
[ 2936-08-5 ]
[ 64-17-5 ]
[ 17022-31-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid Heating;

Reference： [1]Benoit-Guyod,M. et al. [Chimica Therapeutica, 1972, vol. 7, p. 227 - 231]

4
[ 17022-31-0 ]
[ 99-66-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide In ethanol
	With sodium hydroxide In methanol; water for 3h; Reflux;

Reference： [1]Bartlett,P.D.; Sargent,G.D. [Journal of the American Chemical Society, 1965, vol. 87, # 6, p. 1297 - 1307]
[2]Tng, Jiahui; Lim, Junxian; Wu, Kai-Chen; Lucke, Andrew J.; Xu, Weijun; Reid, Robert C.; Fairlie, David P. [Journal of Medicinal Chemistry, 2020, vol. 63, # 11, p. 5956 - 5971]

5
[ 17022-31-0 ]
[ 54073-47-1 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium In xylene

Reference： [1]Russell,G.A. et al. [Journal of the American Chemical Society, 1974, vol. 96, p. 5830 - 5837]

6
3-(2-Methyl-[1,3]dithiolan-2-yl)-2-(2-methyl-[1,3]dithiolan-2-ylmethyl)-propionic acid ethyl ester [ No CAS ]
[ 17022-31-0 ]

Yield	Reaction Conditions	Operation in experiment
	With nickel In ethanol

Reference： [1]Bartlett,P.D.; Sargent,G.D. [Journal of the American Chemical Society, 1965, vol. 87, # 6, p. 1297 - 1307]

7
[ 17022-31-0 ]
[ 130201-21-7 ]
[ 130201-23-9 ]

Reference： [1]Chemische Berichte,1991,vol. 124,p. 903 - 907

Yield	Reaction Conditions	Operation in experiment
	at 25 - 55℃;

10
[ 6065-63-0 ]
[ 74-85-1 ]
[ 17022-31-0 ]

Reference： [1]Underwood; Baril [Journal of the American Chemical Society, 1935, vol. 57, p. 2729]

11
[ 60-29-7 ]
[ 6065-63-0 ]
[ 17022-31-0 ]
[ 258264-00-5 ]

Reference： [1]Krollpfeiffer; Rosenberg [Chemische Berichte, 1936, vol. 69, p. 468]

12
[ 60-29-7 ]
[ 6065-63-0 ]
[ 17022-31-0 ]
[ 258264-00-5 ]

Reference： [1]Krollpfeiffer; Rosenberg [Chemische Berichte, 1936, vol. 69, p. 468]

13
[ 75-15-0 ]
[ 17022-31-0 ]
[ 74-88-4 ]
[ 790691-90-6 ]

Yield	Reaction Conditions	Operation in experiment
90%	Stage #1: ethyl 2-propylpentanoate With lithium diisopropyl amide In tetrahydrofuran; cyclohexane at -78 - 20℃; for 2h; Stage #2: carbon disulfide In tetrahydrofuran; cyclohexane at -78℃; for 1h; Stage #3: methyl iodide In tetrahydrofuran; cyclohexane at -78 - 2℃;

Reference： [1]Hagooly, Aviv; Rozen, Shlomo [Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7241 - 7245]

14
[ 17022-31-0 ]
α-fluoro valproic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-fluorobis(benzenesulfon)imide Alkaline hydrolysis;

Reference： [1]Tang, Wei; Palaty, Jan; Abbott, Frank S. [Journal of Pharmacology and Experimental Therapeutics, 1997, vol. 282, # 3, p. 1163 - 1172]

15
[ 17022-31-0 ]
ethyl 2-propyl-2-trifluoromethylpentanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: LDA / tetrahydrofuran; cyclohexane / 2 h / -78 - 20 °C 1.2: tetrahydrofuran; cyclohexane / 1 h / -78 °C 1.3: 90 percent / tetrahydrofuran; cyclohexane / -78 - 2 °C 2.1: 30 percent / BrF₃ / CCl₃F / 0 °C
	Multi-step reaction with 3 steps 1.1: LDA / tetrahydrofuran; cyclohexane / 2 h / -78 - 20 °C 1.2: tetrahydrofuran; cyclohexane / 1 h / -78 °C 1.3: 90 percent / tetrahydrofuran; cyclohexane / -78 - 2 °C 2.1: 55 percent / BrF₃ / CCl₃F / 0 °C 3.1: 75 percent / HCl; HF; EtOH / H₂O / 10 h / 100 °C

Reference： [1]Hagooly, Aviv; Rozen, Shlomo [Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7241 - 7245]
[2]Hagooly, Aviv; Rozen, Shlomo [Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7241 - 7245]

16
[ 17022-31-0 ]
1-ethoxy-1,1-difluoro-2-propyl-2-trifluoromethylpentane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: LDA / tetrahydrofuran; cyclohexane / 2 h / -78 - 20 °C 1.2: tetrahydrofuran; cyclohexane / 1 h / -78 °C 1.3: 90 percent / tetrahydrofuran; cyclohexane / -78 - 2 °C 2.1: 55 percent / BrF₃ / CCl₃F / 0 °C

Reference： [1]Hagooly, Aviv; Rozen, Shlomo [Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7241 - 7245]

17
[ 17022-31-0 ]
[ 130201-25-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1.) 1.6 M n-butyllithium / 1.) diethyl ether, hexane, -78 deg C, 30 min, 2.) diethyl ether, a) -> room temperature, b) 1 h, reflux 2: 75 percent / p-toluenesulfonic acid / toluene / 14 h / Heating

Reference： [1]Voegtle, Fritz; Kadei, Klaus [Chemische Berichte, 1991, vol. 124, # 4, p. 903 - 907]

18
[ 17022-31-0 ]
[ 130201-20-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 1.) 1.6 M n-butyllithium / 1.) diethyl ether, hexane, -78 deg C, 30 min, 2.) diethyl ether, a) -> room temperature, b) 1 h, reflux 2: 75 percent / p-toluenesulfonic acid / toluene / 14 h / Heating 3: 1.) Mg, 2.) CuCl₂ / 1.) THF, 1,2-dibromoethane, 6 h, reflux, 2.) THF, 14 h, reflux

Reference： [1]Voegtle, Fritz; Kadei, Klaus [Chemische Berichte, 1991, vol. 124, # 4, p. 903 - 907]

19
[ 17022-31-0 ]
C₁₉H₃₂O₆S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / -10 °C 1.2: 1 h / -10 - 0 °C 2.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 20 °C 2.2: 12 h / -10 - 20 °C

Reference： [1]Current Patent Assignee: CELLIXBIO PRIVATE LTD - US2016/122282, 2016, A1

20
[ 50893-53-3 ]
[ 17022-31-0 ]
C₁₁H₁₉ClO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: ethyl 2-propylpentanoate With N-ethyl-N,N-diisopropylamine In dichloromethane at -10℃; for 0.5h; Stage #2: carbonochloridic acid 1-chloro-ethyl ester In water at -10 - 0℃; for 1h;	2 Step-2: Synthesis of Compound 5 DCM (1.8 ml) was added N,N-diisopropylethylamine (2.0 mmol) at -40° C. and stirred at same temperature for 30 mm, followed by drop wise addition of 1 -chloroethylchloroformate 4 (1.1 mmol) at the same temperature and the reaction mixture was allowed to stir for 1 h at 00 C. On completion of the reaction (monitored by TLC), the reaction mixture the solvent was evaporated and the crude was purified through column to get compound 5.

Reference： [1]Current Patent Assignee: CELLIXBIO PRIVATE LTD - US2016/122282, 2016, A1 Location in patent: Paragraph 0108; 0109

21
[ 76002-02-3 ]
[ 17022-31-0 ]

Yield	Reaction Conditions	Operation in experiment
3.1 g	With sodium hydroxide In water at 80℃; for 20h;	1 Step-i: Synthesis of Compound 3 To this mixture comprising the of ethyl 2,2-dipropylacetoacetate, a solution of 8 g (0.2 moles) of NaOH in iO mlwas added and the resulting mixture lefi to react at 80° C.hours. This end mixture was diluted with water andextracted with DCM. Following the separation of layers thephase was acidified to P”=i with 33% HC1 andextracted three times with ethyl acetate. The ethyl acetatewas dried over Na2504 and concentrated to drynessyielding 3.i g of compound 3.

Reference： [1]Current Patent Assignee: CELLIXBIO PRIVATE LTD - US2016/122282, 2016, A1 Location in patent: Paragraph 0106; 0107

22
[ 17022-31-0 ]
N-hydroxy-4-(2-propylpentanamido)benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: sodium hydroxide / methanol; water / 3 h / Reflux 2: chlorinating agent / dichloromethane / 0 °C 3: dichloromethane / 1.17 h / 0 - 20 °C / Alkaline conditions 4: hydroxylamine; sodium hydroxide / methanol; water / 0.75 h / 20 °C

Reference： [1]Tng, Jiahui; Lim, Junxian; Wu, Kai-Chen; Lucke, Andrew J.; Xu, Weijun; Reid, Robert C.; Fairlie, David P. [Journal of Medicinal Chemistry, 2020, vol. 63, # 11, p. 5956 - 5971]

23
[ 17022-31-0 ]
[ 2936-08-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium hydroxide / methanol; water / 3 h / Reflux 2: chlorinating agent / dichloromethane / 0 °C

Reference： [1]Tng, Jiahui; Lim, Junxian; Wu, Kai-Chen; Lucke, Andrew J.; Xu, Weijun; Reid, Robert C.; Fairlie, David P. [Journal of Medicinal Chemistry, 2020, vol. 63, # 11, p. 5956 - 5971]

24
[ 17022-31-0 ]
[ 690988-44-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium hydroxide / methanol; water / 3 h / Reflux 2: chlorinating agent / dichloromethane / 0 °C 3: dichloromethane / 1.17 h / 0 - 20 °C / Alkaline conditions

Reference： [1]Tng, Jiahui; Lim, Junxian; Wu, Kai-Chen; Lucke, Andrew J.; Xu, Weijun; Reid, Robert C.; Fairlie, David P. [Journal of Medicinal Chemistry, 2020, vol. 63, # 11, p. 5956 - 5971]

25
[ 539-82-2 ]
[ 106-94-5 ]
[ 17022-31-0 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: ethyl n-valerate With lithium pyrrolide In tert-butyl methyl ether at -40℃; for 3h; Inert atmosphere; Large scale; Stage #2: propyl bromide In tert-butyl methyl ether at -30℃; Large scale;	1.1; 2.1; 3.1 Preparation of compound II 3kg of ethyl valerate (compound I) was dissolved in 24kg of methyltetrahydrofuran, cooled to -40°C under nitrogen protection, and then 13.85kg (17.31L, density 0.8kg/L) 2mol/L lithium pyrrole was added dropwise The methyl tert-butyl ether solution of the reagent was added dropwise. After stirring for 3 hours, the temperature of the reaction system was controlled at -30°C, 3.97kg of bromopropane was added dropwise, and the raw material was sampled to detect the reaction. After the reaction, 8kg of 10 % Ammonium chloride solution terminates the reaction. After standing for 30 minutes, the aqueous phase is separated; the organic phase is washed once with 5 kg of saturated brine; the aqueous phase is separated and the organic solvent is concentrated under reduced pressure to obtain compound II.

Reference： [1]Current Patent Assignee: SICHUAN CREDIT PHARMACEUTICAL - CN111349003, 2020, A Location in patent: Paragraph 0033-0035; 0038-0040; 0043-0045

26
[ 17022-31-0 ]
[ 1069-66-5 ]

Yield	Reaction Conditions	Operation in experiment
87.2%	With methanol; sodium hydroxide for 9h; Reflux; Large scale;	1.2; 2.2; 3.2 Preparation of compound III The compound II obtained in the first step was dissolved in 21 kg of methanol, added 7.7 kg of 30% sodium hydroxide solution, heated to reflux and reacted for 9 hours; after the reaction was completed, it was cooled to room temperature and concentrated under reduced pressure (removing most of the content in the reactor) Methanol), add 24kg of isopropyl acetate, then adjust the pH of the aqueous phase to 1-2 with concentrated hydrochloric acid, separate the aqueous phase, and then wash the organic phase twice with saturated sodium chloride solution, and dry the organic phase with sodium sulfate After drying, filter off sodium sulfate; to the filtrate, slowly add 2.54kg 40% sodium hydroxide solution, then concentrate under reduced pressure to remove all organic solvents and water, then add 26kg isopropyl acetate, and heat to dissolve After clarification, press and filter while hot. When the filtrate is slowly reduced to room temperature, a large amount of white solid is precipitated. The white solid is filtered out and dried under reduced pressure at 50°C to obtain 3.71kg of sodium valproate (compound III) Crude product: The above 3.71kg crude sodium valproate is heated to dissolve with 28kg isopropyl acetate, 0.16kg of pharmaceutical grade activated carbon is added, and filtered while hot, when the filtrate is slowly reduced to room temperature, a large amount of white solid precipitates out. The solid was filtered out and dried under reduced pressure at 50°C to obtain 3.34 kg of refined sodium valproate. Taking ethyl valerate (compound I) as the standard, the total molar yield is 87.2%, and the purity of the final product is 99.7%.

Reference： [1]Current Patent Assignee: SICHUAN CREDIT PHARMACEUTICAL - CN111349003, 2020, A Location in patent: Paragraph 0033; 0036-0037; 0038; 0041-0042; 0043; 0046-0047

27
[ 29786-93-4 ]
[ 17022-31-0 ]
2,2-dipropylhex-5-en-1-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	Stage #1: n-butyllithium With diisopropylamine In tetrahydrofuran; hexane at 0℃; for 0.5h; Inert atmosphere; Stage #2: ethyl 2-propylpentanoate In tetrahydrofuran; hexane at 0℃; for 0.5h; Inert atmosphere;

Reference： [1]Giofrè, Sabrina; Molteni, Letizia; Nava, Donatella; Lo Presti, Leonardo; Beccalli, Egle Maria [Angewandte Chemie - International Edition, 2021, vol. 60, # 40, p. 21723 - 21727][Angew. Chem., 2021, vol. 133, # 40, p. 21891 - 21895]

28
[ 64-17-5 ]
[ 13310-75-3 ]
[ 2430-27-5 ]
[ 17022-31-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid at 85℃; Cooling with ice;	19 (1) Preparation of Valpromide General procedure: 25.04g of valprolonitrile and 25.63g of methanol, in an ice bath, add 39.23g of concentrated sulfuric acid dropwise with stirring, stir at 85°C for 6h, add 100ml of water, stir, adjust pH to 8 with sodium hydroxide solution, extract with ethyl acetate, anhydrous Drying with sodium sulfate, suction filtration, rotary evaporation, and drying to obtain a solid-liquid mixture, add 150 ml of petroleum ether, stir for 0.5 h, let stand overnight, suction filtration, wash with petroleum ether, and the filtrate is processed according to step (2); the white solid is dried to obtain 6.95 g of valpromide, yield 24.3% (calculated as valproic nitrile); melting point 125.5-126°C.

Reference： [1]Current Patent Assignee: HUNAN UNIVERSITY - CN114763319, 2022, A Location in patent: Paragraph 0117-0118; 0133-0136

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
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P270	Do not eat, drink or smoke when using this product.
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P281	Use personal protective equipment as required.
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P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
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P306	IF ON CLOTHING:
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P320
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P321
P322
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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.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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. 17022-31-0 ]

Quality Control of [ 17022-31-0 ]

Related Doc. of [ 17022-31-0 ]

Product Details of [ 17022-31-0 ]

Calculated chemistry of [ 17022-31-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 17022-31-0 ]

Application In Synthesis of [ 17022-31-0 ]

[ 17022-31-0 ] Synthesis Path-Downstream 1~28

Related Functional Groups of [ 17022-31-0 ]

Aliphatic Chain Hydrocarbons

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 17022-31-0 ]