2-pentylidene cyclohexanone

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Names

[ Name ]:
2-pentylidene cyclohexanone

[Synonym ]:
EINECS 247-178-8
2-Pentylidenecyclohexanone
Cyclohexanone,2-pentylidene
2-Pentylidenecyclohexan-1-one
(2Z)-2-pentylidene-cyclohexan-1-one

Chemical & Physical Properties

[ Density]:
0.979g/cm3

[ Boiling Point ]:
261.1ºC at 760mmHg

[ Molecular Formula ]:
C₁₁H₁₈O

[ Molecular Weight ]:
166.26000

[ Flash Point ]:
108.5ºC

[ Exact Mass ]:
166.13600

[ PSA ]:
17.07000

[ LogP ]:
3.24610

[ Vapour Pressure ]:
0.0118mmHg at 25°C

[ Index of Refraction ]:
1.532

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW1966000

CHEMICAL NAME :: Cyclohexanone, 2-pentylidene-

CAS REGISTRY NUMBER :: 25677-40-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H18-O

MOLECULAR WEIGHT :: 166.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,797,1982 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,797,1982

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,797,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

TRIBUTYL BORANE
2-(hydroxymethylene)cyclohexanone

DownStream

Related Compounds

(E)-but-2-enedioic acid,(E,2E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine,(E)-but-2-enedioic acid
2-pentylidene-1,3-dithiane
2-cyclohexanone
Cyclohexanone
1-formyl-2-cyclohexanone diethylacetal
Methyl 4-[[3-(trifluoromethyl)anilino]methyl]benzoate
2-(Isoquinoline-1-carbonyl)-4-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]-8-oxa-2-azaspiro[4.5]decane
(3S)-3-Amino-3-(3-chloro-4-fluorophenyl)propan-1-OL
Benzeneacetamide, 4-methoxy-N-(3-methoxypropyl)-3-methyl-I+/--oxo-
(5-Bromo-2-hydroxyphenyl)methanesulfonic acid
6-(3-Aminophenoxy)-5-(4-isopropoxyphenyl)pyrimidin-4-amine
1H-Benzotriazol-1-yl 2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
4-(4-Methyl-4-methylsulfonylpiperidin-1-yl)pyridin-3-amine
3-(Dimethoxymethyl)-4,4-dimethoxy-2-methylbutanenitrile
4-(4-Phenoxyphenoxy)-3-(1,2,5,6-tetrahydropyridin-3-yl)pyridine

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