1-octen-3-yl butyrate

Modify Date: 2024-01-13 22:47:38

1-octen-3-yl butyrate Structure
1-octen-3-yl butyrate structure
 Common Name 1-octen-3-yl butyrate
CAS Number 16491-54-6 Molecular Weight 198.30200
Density 0.87g/mLat25ºC(lit.) Boiling Point 248.4ºC at 760mmHg
Molecular Formula C12H22O2 Melting Point 225-229ºC(lit.)
MSDS Chinese USA Flash Point 210

 Names

Name oct-1-en-3-yl butanoate
Synonym More Synonyms

 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.)

 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

 Articles1

More Articles
Organoleptic Characteristics of Flavor Materials Mosciano, G.

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

 Synonyms

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
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