L6V BUTJ C1

Names

[ Name ]:
L6V BUTJ C1

[Synonym ]:
3-Methyl-2-cyclohexenone
MFCD00001581
3-Methyl-2-cyclohexen-1-one
EINECS 214-769-7
2-Cyclohexen-1-one, 3-methyl-
3-methylcyclohex-2-en-1-one
L6V BUTJ C1

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
201.0±0.0 °C at 760 mmHg

[ Melting Point ]:
198 - 199ºC

[ Molecular Formula ]:
C₇H₁₀O

[ Molecular Weight ]:
110.154

[ Flash Point ]:
68.3±0.0 °C

[ Exact Mass ]:
110.073166

[ PSA ]:
17.07000

[ LogP ]:
1.04

[ Vapour Pressure ]:
0.3±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.474

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW7340000

CHEMICAL NAME :: 2-Cyclohexen-1-one, 3-methyl-

CAS REGISTRY NUMBER :: 1193-18-6

BEILSTEIN REFERENCE NO. :: 1560601

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H10-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 35,273,1987

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Precautionary Statements ]:
P301 + P312 + P330

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36

[ Safety Phrases ]:
S36/37/39-S26

[ WGK Germany ]:
3

[ RTECS ]:
GW7340000

[ Hazard Class ]:
9.2

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Methyl-2-cyclohexen-1-ol
1,6-HEPTADIYNE
1-METHYL-1-CYCLOHEXENE
UNII:255L4HTY2B
cyclohexenone
METHYLLITHIUM
Cyclohexene, 3-methyl-
6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
3-methylcyclohex-2-enone oxime
Ethyl acetoacetate

DownStream

3-benzoyl-3-methylcyclohexan-1-one
Diethyl 3,3-dimethylcyclohex-1-enylphosphonate
2-iodo-3-methylcyclohex-2-en-1-one
m-Cresol
ethyl 4-methyl-2-oxocyclohex-3-ene-1-carboxylate
2,2-Dimethylcyclopentanone
6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
1-METHYL-3-(PROPAN-2-YLOXY)BENZENE
3-METHYLCYCLOHEXYLACETATE

Customs

[ HS Code ]: 2914299000

[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

An engineered old yellow enzyme that enables efficient synthesis of (4R,6R)-Actinol in a one-pot reduction system.

ChemBioChem. 16(3) , 440-5, (2015)

(4R,6R)-Actinol can be stereo-selectively synthesized from ketoisophorone by a two-step conversion using a mixture of two enzymes: Candida macedoniensis old yellow enzyme (CmOYE) and Corynebacterium a...

Aldrichimica Acta 16 , 41, (1983)

L6V BUTJ C1 DQ D1U1YQ1 E1 E1 &&(4S)-(1E,3R)- Form
3-((2-METHOXYETHYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
Benzene, mono-C1-7-alkyl derivs.
Ganoderic acid C1
N-Boc-C1-PEG5-C3-NH2
Mal-PEG3-C1-NHS ester
3-Bromo-1-(3-hydroxyphenyl)prop-2-en-1-one
(azetidin-3-yl)(1H-pyrazol-4-yl)methanol
6-(1-Ethoxyethenyl)pyridin-2-amine
1-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-4-amine
3-Chloro-6-fluoro-5-methyl-1,2-benzothiazole
2-(Bromomethyl)-4-methyl-1-propylbenzene
ethyl 1-(2-formyl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxylate
4-(4-bromo-1H-pyrazol-1-yl)-1,3-thiazole-2-carbaldehyde
7-methyl-1-(1H-pyrazol-4-yl)octan-1-ol
6-Bromo-2-(butan-2-yl)indolizine

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