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281964

丁酸丁酯

Name: 丁酸丁酯
Brand: ALDRICH

98%

别名:

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

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关于此项目

线性分子式:

CH₃CH₂CH₂COO(CH₂)₃CH₃

化学文摘社编号:

109-21-7

分子量:

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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属性

Quality Level

100

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

说明

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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Warning

存储类别

3 - Flammable liquids

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

Hazard Classifications

Flam. Liq. 3

法规信息

危险化学品

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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)