2-Hexylcyclopentan-1-one

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Names

[ CAS No. ]:
13074-65-2

[ Name ]:
2-Hexylcyclopentan-1-one

[Synonym ]:
L5VTJ B6
2-N-HEXYLCYCLOPENTANONE
2-Hexylcyclopentanone
2-Hexylcyclopentan-1-one
Cyclopentanone, 2-hexyl-
EINECS 235-970-6
MFCD00059516

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
234.9±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C11H20O

[ Molecular Weight ]:
168.276

[ Flash Point ]:
88.6±10.7 °C

[ Exact Mass ]:
168.151413

[ PSA ]:
17.07000

[ LogP ]:
3.35

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.453

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY4972000
CHEMICAL NAME :
Cyclopentanone, 2-hexyl-
CAS REGISTRY NUMBER :
13074-65-2
BEILSTEIN REFERENCE NO. :
2041950
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H20-O

HEALTH HAZARD DATA

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: 26,349,1988
TYPE OF TEST :
LDLo - Lowest published lethal dose
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,349,1988

Safety Information

[ Safety Phrases ]:
S24/25

[ RTECS ]:
GY4972000

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-hexene
  • Cyclopentanone
  • 1-Trimethylsiloxy-2-n-hexylcyclopenten
  • trimethyl-(1-oct-1-en-2-ylcyclopropyl)oxysilane
  • (2-hexylcyclopent-1-en-1-yl)(phenyl)sulfane
  • 2-hexyl-2-methyl-1-oxaspiro[2.2]pentane
  • (1-(oct-1-en-2-yl)cyclopropyl)(phenyl)sulfane
  • 2-hexylidene cyclopentanone
  • Hexanal

DownStream

  • 2-Hexyl-2-cyclopenten-1-one
  • 2-chloro-2-hexylcyclopentanone
  • (E)-2-n-hexylidenecyclopentanone
  • UNII:ERL32M2M38

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-stearoylcyclohexan-1-one
  • 2-Propen-1-one,1-(4-bromophenyl)-2-(1-piperidinylmethyl)-, hydrochloride (1:1)
  • 2-Propen-1-one,1-(2-hydroxyphenyl)-3-(2-pyridinyl)-
  • 2-phenylsulfanylphthalazin-1-one
  • 2-PROPEN-1-ONE, 1-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-3-(2,3,4-TRIMETHOXYPHENYL)-
  • 2-methylcyclopentadecan-1-one