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Merck
CN

281964

Butyl butyrate

98%

Synonym(s):

1-Butyl butyrate, Butyl butanoate, Butyric acid n-butyl ester, n-Butyl butanoate, n-Butyl butyrate, n-Butyl n-butyrate

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About This Item

Linear Formula:
CH3CH2CH2COO(CH2)3CH3
CAS Number:
109-21-7
Molecular Weight:
144.21
Beilstein:
1747101
EC Number:
203-656-8
MDL number:
MFCD00009450
UNSPSC Code:
12352100
PubChem Substance ID:
24857006
NACRES:
NA.22

Key Documents

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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.)

functional group

ester

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.

Pictograms

FlameEnvironment
GHS02,GHS09

Signal Word

Warning

Hazard Statements

H226,H411

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

124.9 °F - closed cup

Flash Point(C)

51.6 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4558
STBL3794
SDBB0926
STBL3564
STBL2187

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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)
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)
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)
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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