2-Hexyl-2-cyclopenten-1-one

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Names

[ CAS No. ]:
95-41-0

[ Name ]:
2-Hexyl-2-cyclopenten-1-one

[Synonym ]:
EINECS 202-417-5
2-hexylcyclopent-2-enone
2-Hexyl-2-cyclopenten-1-one
2-Cyclopenten-1-one,2-hexyl
2-n-Hexyl-2-cyclopenten-1-one
2-Cyclopenten-1-one, 2-hexyl-
isojasmone B11
2-n-hexyl-2-cyclopentenone
Dihydroisojasmone
2-hexylcyclopent-2-en-1-one
2-Hexyl-2-cyclopentenone

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
255.8±10.0 °C at 760 mmHg

[ Molecular Formula ]:
C11H18O

[ Molecular Weight ]:
166.260

[ Flash Point ]:
107.7±9.8 °C

[ Exact Mass ]:
166.135757

[ PSA ]:
17.07000

[ LogP ]:
3.19

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

[ Index of Refraction ]:
1.474

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GY7290000
CHEMICAL NAME :
2-Cyclopenten-1-one, 2-hexyl-
CAS REGISTRY NUMBER :
95-41-0
BEILSTEIN REFERENCE NO. :
1931570
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H18-O
MOLECULAR WEIGHT :
166.29
WISWESSER LINE NOTATION :
L5V BUTJ B6

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: 16,713,1978 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00920

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Oct-1-yne
  • carbon monoxide
  • 2-pyridyldimethyl(vinyl)silane
  • 2-IODOCYCLOPENT-2-ENONE
  • Bromo(hexyl)magnesium
  • 4-oxoundecanal
  • 3-chloro-2-hexylcyclopent-2-en-1-one
  • 2-(1-Hydroxyhexyl)cyclopentanone
  • 10-Undecenoic acid
  • 2-Hexylcyclopentan-1-one

DownStream

  • n-heptanoic acid
  • Succinic acid
  • 2-hexylcyclopent-2-en-1-ol

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

  • 3-bromo-2-[6-(methoxycarbonyl)hexyl]-2-cyclopenten-1-one
  • 3-hexylcyclopent-2-en-1-one
  • 2-trimethylsilyl-2-cyclopenten-1-one
  • 2-pentyl-2-cyclopenten-1-one
  • 2-phenylamino-2-cyclopenten-1-one
  • 2-hexyl-3-methylcyclopent-2-en-1-one