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

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS09
• signalword: Warning
• hcodes: H226,H411
• pcodes: P210 - P233 - P240 - P241 - P242 - P273
• Hazard Classifications: Aquatic Chronic 2 - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 124.9 °F - closed cup
• flash_point_c: 51.6 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter