2-Heptylcyclopentanone

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Names

[ CAS No. ]:
137-03-1

[ Name ]:
2-Heptylcyclopentanone

[Synonym ]:
UNII-4984B2X8AH
2-(n-Heptyl)cyclopentanone
2-HEPTYLCYCLOPENTANONE
2-n-heptylcyclopentanone
2-n-Heptyl cyclopentanone
α-Heptyl cyclopentanone
Cyclopentanone, 2-heptyl-
EINECS 205-273-1
MFCD00019315

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
251.5±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₂H₂₂O

[ Molecular Weight ]:
182.303

[ Flash Point ]:
98.6±10.7 °C

[ Exact Mass ]:
182.167068

[ PSA ]:
17.07000

[ LogP ]:
3.88

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.455

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GY4950000

CHEMICAL NAME :: Cyclopentanone, 2-heptyl-

CAS REGISTRY NUMBER :: 137-03-1

BEILSTEIN REFERENCE NO. :: 2043445

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C12-H22-O

MOLECULAR WEIGHT :: 182.34

WISWESSER LINE NOTATION :: L5VTJ B7

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,452,1975 ** 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 :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,452,1975

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 gm/kg

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

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,452,1975

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37

[ RTECS ]:
GY4950000

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Hept-1-ene
Cyclopentanone
bromoheptane
Ethyl 2-oxocyclopentanecarboxylate
Cyclopentanone,2,2-dimethylhydrazone
2-heptylidenecyclopentan-1-one
Heptanal
2-heptyl-adipic acid
1-Iodoheptane

DownStream

δ-Dodecalactone
3-heptyltetrahydro-2H-pyran-2-one

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%

Related Compounds

2-HEPTYLCYCLOPENTANONE
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
2-[(4-aminobenzoyl)-benzylamino]ethyl-diethylazanium,chloride
2-methyl-2-methylsulfanylpropanenitrile
2-((4-(1-METHYL-4-(PYRIDIN-4-YL)-1H-PYRAZOL-3-YL)PHENOXY)METHYL)QUINOLINE SUCCINATE
2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene
1h-Pyrazolo[4,3-c]pyridine-1-ethanamine,n,n-dimethyl-3-phenyl-
2-Bromo-2,3-dihydro-2-methyl-4-nitro-1H-inden-1-one
(2R,4R)-2,4-dimethylazetidine
5-methoxy-6-methyl-1H-indole-2-carboxylic acid ethyl ester
1-Benzyloxy-4-chloromethyl-2-fluoro-benzene
5-Amino-2-methylthiazolo[5,4-d]pyrimidin-7(4h)-one
2-(2-Hydroxyethyl)cyclohexanone
Methyl 3-[(4-methoxybenzyl)oxy]-2,2-dimethylpropanoate
(3S,3AS,6S,6aS)-Hexahydrofuro[3,2-b]furan-3,6-diamine
4-(2,5-Dihydroxyphenyl)butan-2-one

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