n-Caproic acid n-butyl ester
Names
[ CAS No. ]:
626-82-4
[ Name ]:
n-Caproic acid n-butyl ester
[Synonym ]:
MFCD00053804
Butyl hexanoate
EINECS 210-964-6
Chemical & Physical Properties
[ Density]:
0.866
[ Boiling Point ]:
61-62 °C (3 mmHg)
[ Molecular Formula ]:
C10H20O2
[ Molecular Weight ]:
172.26500
[ Flash Point ]:
178 ºF
[ Exact Mass ]:
172.14600
[ PSA ]:
26.30000
[ LogP ]:
2.91000
[ Index of Refraction ]:
1.416
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MO6950000
- CHEMICAL NAME :
- Hexanoic acid, butyl ester
- CAS REGISTRY NUMBER :
- 626-82-4
- BEILSTEIN REFERENCE NO. :
- 1754426
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H20-O2
- MOLECULAR WEIGHT :
- 172.30
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,653,1983 ** 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: 21,653,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- 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: 21,653,1983
Safety Information
[ Hazard Codes ]:
Xi
[ RIDADR ]:
NONH for all modes of transport
[ RTECS ]:
MO6950000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Appl. Biochem. Biotechnol. 113 , 189-99, (2004)
Mucor miehei lipase was immobilized on magnetic polysiloxane-polyvinyl alcohol particles by covalent binding with high activity recovered. The performance of the resulting immobilized biocatalyst was ...
Ester-exchange catalyzed by lipase modified with polyethylene glycol.Biochem. Biophys. Res. Commun. 131(2) , 532-6, (1985)
Lipoprotein lipase was modified with 2,4-bis(O-methoxypolyethylene glycol)-6-chloro-s-triazine; forty-six percent out of seven amino groups in the molecule were substituted. The modified lipase cataly...
Enzymatic reactions and synthesis of n-butyl caproate: esterification, transesterification and aminolysis using a recombinant lipase from Geobacillus thermoleovorans CCR11.Environ. Technol. 31(10) , 1101-6, (2010)
The recombinant lipase LipMatCCR11 from the thermophilic strain Geobacillus thermoleovorans CCR11 was applied in the synthesis of n-butyl caproate via transesterification in hexane and xylene. The sho...