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
4-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]cyclohexan-1-ol
4-{1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-3-carbonyl}thiomorpholine
4-(3-cyanoquinolin-2-yl)-N-cyclopropylmorpholine-2-carboxamide
2-methyl-3-{[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]methyl}-4,5,6,7-tetrahydro-2H-indazole
N-cyclopropyl-4-(4,6-difluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)pyridine-2-carbonitrile
4-({1-[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methoxy)-3-methylpyridine
1-Cyclopropyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,2-dihydropyrazin-2-one
3-{4-[4-(Ethylamino)pyrimidin-2-yl]piperazin-1-yl}pyridine-2-carbonitrile
6-Chloro-2-(4-cyclobutylpiperazin-1-yl)-1,3-benzoxazole

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