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W217506

乙酸异丁酯

FCC, FG

别名:

乙酸异丁酯

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线性分子式:
CH3COOCH2CH(CH3)2
化学文摘社编号:
110-19-0
分子量:
116.16
FEMA Number:
2175
Council of Europe no.:
195
UNSPSC Code:
12164502
PubChem Substance ID:
24900888
Flavis number:
9.005
EC Number:
203-745-1
NACRES:
NA.21
MDL number:
MFCD00008932
Beilstein/REAXYS Number:
1741909
Organoleptic:
apple; banana; fruity; ethereal; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

300, 400

grade

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

vapor density

>4 (vs air)

vapor pressure

15 mmHg ( 20 °C)

assay

≥98%

form

liquid

autoignition temp.

793 °F

expl. lim.

10.5 %

refractive index

n20/D 1.39 (lit.)

pH

6.7 (20 °C, 5 g/L)

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

solubility

95% ethanol: soluble 1 mL/mL

density

0.867 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

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

General description

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.

Application

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

Biochem/physiol Actions

10ppm 时的味道

Other Notes

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。

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H336

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

存储类别

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F - Pensky-Martens closed cup

flash_point_c

22 °C - Pensky-Martens closed cup

ppe

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

法规信息

危险化学品

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBP2610
SHBN0466
SHBN8181
SHBN5668
SHBM9527

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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)
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
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全球贸易项目编号

货号GTIN
W217506-1KG-K04061837543906
W217506-SAMPLE-K04061837543937
W217506-100KG-K04061837543890
W217506-20KG-K04061837543913
W217506-9KG-K04061837543920