1-octen-3-yl butyrate

Names

[ 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)

Related Compounds

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