1-octen-3-yl butyrate

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Names

[ CAS No. ]:
16491-54-6

[ Name ]:
1-octen-3-yl butyrate

[Synonym ]:
Butanoic acid 1-octen-3-yl ester
EINECS 240-555-8
Butanoic acid,1-ethenylhexyl ester
Butyric acid,1-pentylallyl ester
FEMA No. 3612
1-Pentylallyl butyrate
1-Octen-3-ol butyrate
1-Pentylallylbutyrat
1-Ethenylhexyl butanoate
1-Octen-3-yl butyrate

Chemical & Physical Properties

[ Density]:
0.87g/mLat25ºC(lit.)

[ Boiling Point ]:
248.4ºC at 760mmHg

[ Melting Point ]:
225-229ºC(lit.)

[ Molecular Formula ]:
C12H22O2

[ Molecular Weight ]:
198.30200

[ Flash Point ]:
210

[ Exact Mass ]:
198.16200

[ PSA ]:
26.30000

[ LogP ]:
3.46460

[ Vapour Pressure ]:
0.0244mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.4295(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET7030000
CHEMICAL NAME :
Butyric acid, 1-vinylhexyl ester
CAS REGISTRY NUMBER :
16491-54-6
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H22-O2
MOLECULAR WEIGHT :
198.34
WISWESSER LINE NOTATION :
3VOY5&1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3424 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
ET7030000

Articles

Organoleptic Characteristics of Flavor Materials Mosciano, G.

Perfum. Flavor. 7th ed., 30 , 58, (2005)


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Related Compounds

  • 1-Octen-3-yl butyrate
  • 1-octen-3-yl acetate
  • 1-OCTEN-3-YL PROPIONATE
  • 1-Octen-3-yl acetate
  • (R)-1-octen-3-yl sulfate
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