Merck
CN

W217506

Sigma-Aldrich

乙酸异丁酯

FCC, FG

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别名:
乙酸异丁酯
线性分子式:
CH3COOCH2CH(CH3)2
CAS号:
分子量:
116.16
FEMA编号:
2175
Beilstein:
1741909
EC 号:
欧洲委员会编号:
195
MDL编号:
PubChem化学物质编号:
Flavis编号:
9.005
NACRES:
NA.21

生物来源

synthetic

质量水平

等级

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

蒸汽密度

>4 (vs air)

蒸汽压

15 mmHg ( 20 °C)

检测方案

≥98%

形式

liquid

自燃温度

793 °F

expl. lim.

10.5 %

折射率

n20/D 1.39 (lit.)

pH值(酸碱度)

6.7 (20 °C, 5 g/L)

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

溶解性

95% ethanol: soluble 1 mL/mL

密度

0.867 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

性状检查

apple; banana; fruity; ethereal; sweet

SMILES string

CC(C)COC(C)=O

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChI key

GJRQTCIYDGXPES-UHFFFAOYSA-N

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此商品
W217514PHR3189537470
Isobutyl acetate FCC, FG

Sigma-Aldrich

W217506

乙酸异丁酯

Isobutyl acetate natural, ≥97%, FCC, FG

Sigma-Aldrich

W217514

乙酸异丁酯

Isobutyl acetate pharmaceutical secondary standard, certified reference material

Supelco

PHR3189

乙酸异丁酯

Isobutyl acetate 99%

Sigma-Aldrich

537470

乙酸异丁酯

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Halal, Kosher, natural

grade

certified reference material, pharmaceutical secondary standard

grade

-

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

traceable to USP 1347802

agency

-

vapor density

>4 (vs air)

vapor density

>4 (vs air)

vapor density

>4 (vs air)

vapor density

>4 (vs air)

assay

≥98%

assay

≥97%

assay

-

assay

99%

refractive index

n20/D 1.39 (lit.)

refractive index

n20/D 1.39 (lit.)

refractive index

n20/D 1.39 (lit.)

refractive index

n20/D 1.39 (lit.)

一般描述

Isobutyl acetate, a medium chain ester, is a high-volume solvent, flavor and fragrance compound. It is the fruity ester formed during the fermentation of wine. Organoleptic threshold value of isobutyl acetate has been evaluated in Norwegian all-malt pilsener beer. Engineered biosynthesis of isobutyl acetate in Escherichia coli directly from glucose has been reported.

应用

Isobutyl acetate is suitable ester aroma compound used in the estimation of esters which contribute to the fruity aroma in sweet wines.

生化/生理作用

10ppm 时的味道

其他说明

天然存在:苹果、香蕉、可可、无花果、葡萄、葡萄白兰地、梨子、菠萝、雪利酒、草莓和葡萄酒。

象形图

FlameExclamation mark

警示用语:

Danger

危险声明

危险分类

Flam. Liq. 2 - STOT SE 3

靶器官

Central nervous system

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

71.6 °F - Pensky-Martens closed cup

闪点(°C)

22 °C - Pensky-Martens closed cup

个人防护装备

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

法规信息

危险化学品

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乙酸异丙酯

Yi-Shu Tai et al.
Metabolic engineering, 27, 20-28 (2014-12-03)
Medium-chain esters such as isobutyl acetate (IBAc) and isoamyl acetate (IAAc) are high-volume solvents, flavors and fragrances. In this work, we engineered synthetic metabolic pathways in Escherichia coli for the total biosynthesis of IBAc and IAAc directly from glucose. Our
Ana Marquez et al.
Talanta, 123, 32-38 (2014-04-15)
A dynamic headspace sorptive extraction (DHS) combined with thermal desorption (TD) and coupled with gas chromatography-mass spectrometry (GC/MS) was developed for the determination of 11 esters which contribute to the fruity aroma in sweet wines. A full factorial (4 factors
Organoleptic threshold values of some alcohols and esters in beer.
Engan S.
Journal of the Institute of Brewing, 78(1), 33-36 (1972)
Determination of low phosphate concentrations in seawater by an isobutyl acetate extraction procedure.
Cescon BS and Scarazzato PG.
Limnology and Oceanography, 18(3), 499-500 (1973)
Fermentation esters-formation and retention as affected by fermentation temperature.
Killian E and Ough CS.
American Journal of Enology and Viticulture, 30(4), 301-305 (1979)

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