All Photos(2)
Synonym(s):
1-Butyl butyrate, Butyl butanoate, Butyric acid n-butyl ester, n-Butyl butanoate, n-Butyl butyrate, n-Butyl n-butyrate
Linear Formula:
CH3CH2CH2COO(CH2)3CH3
CAS Number:
Molecular Weight:
144.21
Beilstein:
1747101
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.406 (lit.)
bp
164-165 °C (lit.)
density
0.869 g/mL at 25 °C (lit.)
SMILES string
CCCCOC(=O)CCC
InChI
1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChI key
XUPYJHCZDLZNFP-UHFFFAOYSA-N
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General description
Butyl butyrate is an ester present in pineapple flavor and is very important for the food and beverages industries. Kinetcis of butyl butyrate synthesis by enzymatic esterification and trans-esterification in supercritical carbon dioxide with a lipase, Novozym 435 has been reported.
Application
Butyl butyrate can be used as a reactant to synthesize:
- N
- -(Phenylmethyl)butanamide by reacting with benzylamine via ester-amide exchange reaction in the presence of supported graphene oxide catalyst.
- Cyclohexyl butyrate by acylation reaction with cyclohexanol using a ruthenium pincer PNN complex catalyst.
- Butyl ether by triiron dodecacarbonyl catalyzed hydrosilylation reaction.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Flam. Liq. 3
WGK
WGK 2
Flash Point(F)
124.9 °F
Flash Point(C)
51.6 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
Certificates of Analysis (COA)
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Ruthenium Pincer-Catalyzed Acylation of Alcohols Using Esters with Liberation of Hydrogen under Neutral Conditions
Gnanaprakasam B, et al.
advanced synthesis and catalysis, 352(18), 3169-3173 (2010)
Ruthenium Pincer-Catalyzed Acylation of Alcohols Using Esters with Liberation of Hydrogen under Neutral Conditions
Gnanaprakasam B, et al.
Advanced Synthesis & Catalysis, 352(18), 3169-3173 (2010)
Kinetics of synthesis of butyl butyrate by esterification and transesterification in supercritical carbon dioxide.
Varma MN and Madras G.
Journal of Chemical Technology and Biotechnology, 83(8), 1135-1144 (2008)
Unprecedented Ester-Amide Exchange Reaction Using Highly Versatile Two-Dimensional Graphene Oxide Supported Base Metal Nanocatalyst
Sharma RK, et al.
Industrial & Engineering Chemistry Research, 57(10), 3617-3627 (2018)
Andréa B Martins et al.
Biotechnology progress, 29(6), 1416-1421 (2013-08-16)
Butyl butyrate is an ester present in pineapple flavor, which is very important for the food and beverages industries. In this work, the optimization of the reaction of butyl butyrate synthesis catalyzed by the immobilized lipase Lipozyme TL-IM was performed.
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