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

Click to get detail synthetic route

Precursor & DownStream

Precursor

Di-n-butyl ether suppliers in China
Hexanoyl chloride TOP1 supplier
(E)-2-Hexenoic acid butyl ester
1-Hexanoic acid
Butanol
Hexanal
Dibutyl phosphonate
1-Bromobutane
(3Z)-3-Hexen-1-yl hexanoate
Hexanoic acid,2-hydroxyethyl ester

DownStream

Articles

Ester synthesis catalyzed by Mucor miehei lipase immobilized on magnetic polysiloxane-polyvinyl alcohol particles.

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...