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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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857006
EC Number:
203-656-8
Beilstein/REAXYS Number:
1747101
MDL number:
MFCD00009450
Assay:
98%
Form:
liquid
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Quality Segment

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

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.

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Signal Word

Warning

Storage Class

3 - Flammable liquids

Flash Point (°F)

124.9 °F - closed cup

Flash Point (°C)

51.6 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Pictograms

Flame
GHS02

Hazard Codes

H226

Hazard Classifications

Flam. Liq. 3

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