[ CAS No. 150668-37-4 ]

Name: 150668-37-4|Cyclopropyl 3-methylphenyl ketone|95%
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Quality Control of [ 150668-37-4 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 150668-37-4 ]

CAS No. :	150668-37-4	MDL No. :	MFCD03841207
Formula :	C₁₁H₁₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BKPSILXHXNLDKJ-UHFFFAOYSA-N
M.W :	160.21	Pubchem ID :	21431776
Synonyms :

Calculated chemistry of [ 150668-37-4 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	49.1
TPSA :	17.07 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) :	-5.42 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.22
Log Po/w (XLOGP3) :	2.61
Log Po/w (WLOGP) :	2.52
Log Po/w (MLOGP) :	2.3
Log Po/w (SILICOS-IT) :	3.25
Consensus Log Po/w :	2.58

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.72
Solubility :	0.308 mg/ml ; 0.00192 mol/l
Class :	Soluble
Log S (Ali) :	-2.62
Solubility :	0.386 mg/ml ; 0.00241 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.32
Solubility :	0.0765 mg/ml ; 0.000478 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.07

Safety of [ 150668-37-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 150668-37-4 ]

* 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 [ 150668-37-4 ]

[ 150668-37-4 ] Synthesis Path-Downstream 1~21

1
[ 40877-15-4 ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
91%	With potassium hydroxide In methanol for 12h; Ambient temperature;

Reference： [1]Takeuchi, Ken'ichi; Kitagawa, Toshikazu; Miyabo, Atsushi; Hori, Hideshi; Komatsu, Koichi [Journal of Organic Chemistry, 1993, vol. 58, # 21, p. 5802 - 5810]

2
[ 5293-84-5 ]
[ 150668-37-4 ]
(Z)-β-Chloro-α-cyclopropyl-m-methylstyrene [ No CAS ]
(E)-β-Chloro-α-cyclopropyl-m-methylstyrene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1: 37 % Spectr. 2: 63 % Spectr.	With piperidine; n-butyllithium In diethyl ether; hexane 1.) room temp., 4 h, 2.) room temp., overnight; Title compound not separated from byproducts;

Reference： [1]Takeuchi, Ken'ichi; Kitagawa, Toshikazu; Miyabo, Atsushi; Hori, Hideshi; Komatsu, Koichi [Journal of Organic Chemistry, 1993, vol. 58, # 21, p. 5802 - 5810]

3
[ 591-17-3 ]
[ 4023-34-1 ]
[ 10108-64-2 ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; magnesium	3 Cyclopropyl m-tolyl ketone Cyclopropyl m-tolyl ketone m-Bromotoluene (34.2 g) in dry ether (120 ml) was added dropwise to magnesium turnings (4.8 g) in dry ether (100 ml). The heat of reaction maintained the mixture to boiling under reflux during the addition and the mixture was heated under reflux for a further hour. The mixture was cooled to 0°, dry cadmium chloride (19.6 g) was added and the temperature allowed to rise to 20° C. After 1 hour, cyclopropanecarbonyl chloride (20.8 g) in dry ether (50 ml) was added dropwise and the mixture was heated under reflux for 4 hours, cooled to 0° and treated with 2 N hydrochloric acid. The ether layer was separated, washed with aqueous sodium bicarbonate (3* 100 ml., 8%) and with water, dried over magnesium sulphate, filtered and evaporated. The residue was distilled under reduced pressure and the fraction b.p. 86°-90°/0.4 mm was collected.

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US4028404, 1977, A

4
[ 150668-37-4 ]
α-Bromo-m-tolyl cyclopropyl ketone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-Bromosuccinimide In tetrachloromethane	3 α-Bromo-m-tolyl cyclopropyl ketone α-Bromo-m-tolyl cyclopropyl ketone A stirred suspension of cyclopropyl m-tolyl ketone (16 g) and N-bromosuccinimide (17.8 g) in carbon tetrachloride (100 ml) was irradiated and heated under reflux by means of a tungsten lamp for 2 hours and cooled. The solid was filtered off and the filtrate evaporated. The residual oil was distilled under reduced pressure and the fraction distilling at 115°-130°/0.1 mm was collected.

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US4028404, 1977, A

5
[ 150668-37-4 ]
[ 1432048-22-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid; pyridine hydrochloride / acetonitrile / 3 h / 160 °C / Microwave irradiation 2.1: methanol / 48 h / 35 °C 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C 3.2: 0.25 h / -78 °C 3.3: 0.5 h / 50 - 60 °C 4.1: methanol; sodium tetrahydroborate / 20 °C
	Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid; pyridine hydrochloride / acetonitrile / 3 h / 160 °C / Microwave irradiation 2.1: methanol / 48 h / 35 °C 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C 3.2: 0.25 h / -78 °C 3.3: 0.5 h / 50 - 60 °C 4.1: sodium tetrahydroborate / methanol / 20 °C

Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2

6
[ 150668-37-4 ]
[ 40877-15-4 ]

Yield	Reaction Conditions	Operation in experiment
50%	With pyridine hydrochloride; toluene-4-sulfonic acid In acetonitrile at 160℃; for 3h; Microwave irradiation;	91B Example 91B Example 91B 4-chloro-1-m-tolylbutan-1-one A solution of Example 91A (2.56 g, 16.9 mmol), TsOH.H2O (3.2 g, 16.9 mmol) and pyridine hydrochloride (3.88 g, 33.8 mmol) in CH3CN (60 mL) was heated at 160° C. for 3 hours under microwave and the CH3CN was removed by reduced pressure to give a residue, which was re-dissolved in ethyl acetate (100 mL). The resulting organic solution was washed with aqueous NaHCO3 (50 mL) and brine (50 mL), dried over MgSO4, filtered, and concentrated to give a black oil. The oil was purified by chromatography on silica gel column (petroleum ether: ethyl acetate=20:1) to give the title compound (1.56 g, 50%). LC-MS (M+H): m/z 197. 1H NMR (400 MHz, CDCl3): δ ppm 7.765-7.786 (m, 2H), 7.354-7.397 (m, 2H), 3.679 (t, J=6.2 Hz, 2H), 3.170 (t, J=6.2 Hz, 2H), 2.419 (s, 3H), 2.194-2.260 (m, 2H).
50%	With pyridine hydrochloride; toluene-4-sulfonic acid In acetonitrile at 160℃; for 3h; Microwave irradiation;	91B 4-chloro- 1 -m-tolylbutan- 1 -one 4-chloro- 1 -m-tolylbutan- 1 -one[136] A solution of Example 91A (2.56 g, 16.9 mmol), TsOH.H20 (3.2 g, 16.9 mmol) and pyridine hydrochloride (3.88 g, 33.8 mmol) in CH3CN (60 mL) was heated at 160 °C for 3 hours under microwave and the CH3CN was removed by reduced pressure to give a residue, which was re-dissolved in ethyl acetate (100 mL). The resulting organic solution was washed with aqueous NaHCC^ (50 mL) and brine (50 mL), dried over MgS04, filtered, and concentrated to give a black oil. The oil was purified bychromatography on silica gel column (petroleum ether: ethyl acetate =20: 1) to give the title compound (1.56 g, 50%). LC-MS (M+H): m/z 197. XH NMR (400 MHz, CDC13): ? ppm 7.765-7.786 (m, 2H), 7.354-7.397 (m, 2H), 3.679 (t, J=6.2Hz, 2H), 3.170 (t, J=6.2Hz, 2H), 2.419 (s, 3H), 2.194-2.260 (m, 2H).

Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1 Location in patent: Paragraph 1608; 1609
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2 Location in patent: Paragraph 135; 136

7
[ 150668-37-4 ]
[ 1432492-65-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid; pyridine hydrochloride / acetonitrile / 3 h / 160 °C / Microwave irradiation 2: methanol / 48 h / 35 °C
	Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid; pyridine hydrochloride / acetonitrile / 3 h / 160 °C / Microwave irradiation 2: methanol / 48 h / 35 °C

Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2

8
[ 150668-37-4 ]
[ 1432492-66-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; pyridine hydrochloride / acetonitrile / 3 h / 160 °C / Microwave irradiation 2.1: methanol / 48 h / 35 °C 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C 3.2: 0.25 h / -78 °C 3.3: 0.5 h / 50 - 60 °C
	Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; pyridine hydrochloride / acetonitrile / 3 h / 160 °C / Microwave irradiation 2.1: methanol / 48 h / 35 °C 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C 3.2: 0.25 h / -78 °C 3.3: 0.5 h / 50 - 60 °C

Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2

9
[ 23719-80-4 ]
[ 135754-82-4 ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran at 0 - 20℃; for 4h;	91A Example 91A Example 91A cyclopropyl(m-tolyl)methanone To a solution of N-methoxy-N,3-dimethylbenzamide (2.86 g, 16 mmol) in THF (50 mL) was added cyclopropylmagnesium bromide (2 N in THF, 40 mmol, 20 mL) dropwise at 0° C. After addition, the reaction mixture was stirred for 4 hours at room temperature and quenched with 30 mL of aqueous NH4Cl. The aqueous phase was separated and extracted with ethyl acetate (50 mL*2). The combined organic phase was washed with water (50 mL), brine (50 mL), dried over Na2SO4, filtered, and concentrated to give crude product as a yellow oil (2.56 g, 100%). LC-MS (M+H): m/z 161. 1H NMR (400 MHz, CDCl3): δ ppm 7.817 (s, 2H), 7.367-7.332 (m, 2H), 2.697-2.635 (m, 1H), 2.417 (s, 3H), 1.247-1.209 (m, 2H), 1.046-1.000 (m, 2H).
	In tetrahydrofuran at 0 - 20℃; for 4h;	91A cyclopropyl(m-tolyl)methanone cyclopropyl(m-tolyl)methanone[134] To a solution of N-methoxy-N,3 -dimethylbenzamide (2.86 g, 16 mmol) in THF (50 mL) was added cyclopropylmagnesium bromide (2 N in THF, 40 mmol, 20 mL) dropwise at 0 °C. After addition, the reaction mixture was stirred for 4 hours at room temperature and quenched with 30 mL of aqueous NH4C1. The aqueous phase was separated and extracted with ethyl acetate (50 mLx2). The combined organic phase was washed with water (50 mL), brine (50 mL), dried over Na2S04; filtered, and concentrated to give crude product as a yellow oil (2.56 g, 100%). LC-MS (M+H): m/z 161. XH NMR (400 MHz, CDCI3): ? ppm 7.817 (s, 2H), 7.367-7.332 (m, 2H), 2.697-2.635 (m , 1H), 2.417 (s, 3H), 1.247-1.209 (m,2H), 1.046- 1.000 (m, 2H).

Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1 Location in patent: Paragraph 1606; 1607
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2 Location in patent: Paragraph 133; 134

10
C₁₈H₁₈F₃IO₄S [ No CAS ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry 2: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry

Reference： [1]Sun, Yan; Huang, Xin; Li, Xiaojin; Luo, Fan; Zhang, Lei; Chen, Mengyuan; Zheng, Shiya; Peng, Bo [Advanced Synthesis and Catalysis, 2018, vol. 360, # 6, p. 1082 - 1087]

11
C₁₂H₁₃F₃O₄S [ No CAS ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
37.6 mg	In dichloromethane at -50℃; for 6h; Inert atmosphere; Schlenk technique; Green chemistry;

Reference： [1]Sun, Yan; Huang, Xin; Li, Xiaojin; Luo, Fan; Zhang, Lei; Chen, Mengyuan; Zheng, Shiya; Peng, Bo [Advanced Synthesis and Catalysis, 2018, vol. 360, # 6, p. 1082 - 1087]

12
1-(1-(m-tolyl)vinyl)cyclobutan-1-ol [ No CAS ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry 2: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry 3: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry

Reference： [1]Sun, Yan; Huang, Xin; Li, Xiaojin; Luo, Fan; Zhang, Lei; Chen, Mengyuan; Zheng, Shiya; Peng, Bo [Advanced Synthesis and Catalysis, 2018, vol. 360, # 6, p. 1082 - 1087]

13
[ 28987-79-3 ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: tetrahydrofuran / 0 - 20 °C / Inert atmosphere 2: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry 3: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry 4: dichloromethane / 6 h / -50 °C / Inert atmosphere; Schlenk technique; Green chemistry

Reference： [1]Sun, Yan; Huang, Xin; Li, Xiaojin; Luo, Fan; Zhang, Lei; Chen, Mengyuan; Zheng, Shiya; Peng, Bo [Advanced Synthesis and Catalysis, 2018, vol. 360, # 6, p. 1082 - 1087]

14
[ 150668-37-4 ]
1,1-diethyl-4-(m-tolyl)silinane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sodium hexamethyldisilazane / tetrahydrofuran / 0.5 h / 0 °C 1.2: -78 - 20 °C 2.1: trityl tetrakis(pentafluorophenyl)borate / chlorobenzene / 0.17 h / 20 °C / Glovebox

15
[ 1779-49-3 ]
[ 150668-37-4 ]
1-(1-cyclopropylvinyl)-3-methylbenzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	Stage #1: Methyltriphenylphosphonium bromide With sodium hexamethyldisilazane In tetrahydrofuran at 0℃; for 0.5h; Stage #2: Cyclopropyl m-methylphenyl ketone In tetrahydrofuran at -78 - 20℃;

16
[ 591-17-3 ]
[ 147356-78-3 ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 1-bromo-3-methylbenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: cyclopropanecarboxylic acid N-methoxy-N-methylamide In tetrahydrofuran; hexane at -78 - 20℃; for 2h;
	Stage #1: 1-bromo-3-methylbenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: cyclopropanecarboxylic acid N-methoxy-N-methylamide In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Inert atmosphere;

Reference： [1]Bonetti, Vittorio; He, Tao; Klare, Hendrik F. T.; Oestreich, Martin; Wang, Guoqiang [Angewandte Chemie - International Edition, 2020, vol. 59, # 29, p. 12186 - 12191][Angew. Chem., 2020, vol. 132, # 29, p. 12284 - 12289,6]
[2]Cui, Ning; Lin, Tingzhi; Wang, Yan-En; Wu, Jian; Han, Yuheng; Xu, Xinyang; Xue, Fei; Xiong, Dan; Walsh, Patrick J.; Mao, Jianyou [Organic Letters, 2022, vol. 24, # 22, p. 3987 - 3992]

17
[ 13633-25-5 ]
[ 150668-37-4 ]
C₂₁H₂₆O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	With methanol; nickel(II) bromide ethylene glycol dimethyl ether; bathophenanthroline; zinc powder at 60℃; for 24h; regioselective reaction;

Reference： [1]Yuan, Bing; Ding, Decai; Wang, Chuan [ACS Catalysis, 2022, vol. 12, # 8, p. 4261 - 4267]

18
[ 103-63-9 ]
[ 150668-37-4 ]
6-phenyl-1-(m-tolyl)hexan-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With 5,5'-dimethyl-2,2'-bipyridine; Ni(ClO₄)₂·6H₂O; zinc In N,N-dimethyl acetamide at 25 - 40℃; for 12h; Inert atmosphere; Microwave irradiation; regioselective reaction;

Reference： [1]Cui, Ning; Lin, Tingzhi; Wang, Yan-En; Wu, Jian; Han, Yuheng; Xu, Xinyang; Xue, Fei; Xiong, Dan; Walsh, Patrick J.; Mao, Jianyou [Organic Letters, 2022, vol. 24, # 22, p. 3987 - 3992]

19
[ 150668-37-4 ]
[ 944344-73-4 ]

Yield	Reaction Conditions	Operation in experiment
65%	With palladium diacetate; tricyclohexylphosphine In 1,4-dioxane at 100℃; for 16h; Inert atmosphere; Sealed tube; stereoselective reaction;

Reference： [1]Chen, Yan-Zuo; Wang, Neng; Hou, Zong-Rui; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng; Jiang, Ting [Organic and Biomolecular Chemistry, 2022, vol. 20, # 27, p. 5412 - 5415]

20
C₁₁H₁₄O [ No CAS ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	With Dess-Martin periodane In dichloromethane at 20℃; for 0.25h; Inert atmosphere;

Reference： [1]Chen, Yan-Zuo; Wang, Neng; Hou, Zong-Rui; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng; Jiang, Ting [Organic and Biomolecular Chemistry, 2022, vol. 20, # 27, p. 5412 - 5415]

21
[ 620-23-5 ]
[ 150668-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 2: Dess-Martin periodane / dichloromethane / 0.25 h / 20 °C / Inert atmosphere

Reference： [1]Chen, Yan-Zuo; Wang, Neng; Hou, Zong-Rui; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng; Jiang, Ting [Organic and Biomolecular Chemistry, 2022, vol. 20, # 27, p. 5412 - 5415]

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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.
P381	Eliminate all ignition sources if safe to do so.
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.
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

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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. 150668-37-4 ]

Quality Control of [ 150668-37-4 ]

Related Doc. of [ 150668-37-4 ]

Product Details of [ 150668-37-4 ]

Calculated chemistry of [ 150668-37-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 150668-37-4 ]

Application In Synthesis of [ 150668-37-4 ]

[ 150668-37-4 ] Synthesis Path-Downstream 1~21

Related Functional Groups of [ 150668-37-4 ]

Aryls

Ketones

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 150668-37-4 ]