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Merck
CN

W267600

乙酸甲酯

≥98%, FG

别名:

乙酸甲酯甲基绿

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线性分子式:
CH3COOCH3
化学文摘社编号:
79-20-9
分子量:
74.08
FEMA Number:
2676
Council of Europe no.:
213
UNSPSC Code:
12164502
PubChem Substance ID:
24901241
Flavis number:
9.023
EC Number:
201-185-2
NACRES:
NA.21
MDL number:
MFCD00008711
Beilstein/REAXYS Number:
1736662
Organoleptic:
fruity; ethereal; sweet
Grade:
FG
Fragrance grade
Halal
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

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产品名称

乙酸甲酯, ≥98%, FG

SMILES string

COC(C)=O

InChI

1S/C3H6O2/c1-3(4)5-2/h1-2H3

InChI key

KXKVLQRXCPHEJC-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Fragrance grade
Halal

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515
FDA 21 CFR 175.105

vapor density

2.55 (vs air)

vapor pressure

165 mmHg ( 20 °C)

assay

≥98%

form

liquid

autoignition temp.

936 °F

expl. lim.

16 %

refractive index

n20/D 1.361 (lit.)

bp

57-58 °C (lit.)

mp

−98 °C (lit.)

density

0.934 g/mL at 25 °C

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

fruity; ethereal; sweet

Quality Level

300
400

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相关类别

General description

乙酸甲酯已被确定是新鲜葡萄柚汁、绿咖啡和哈密瓜中的挥发性成分之一。

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

supp_hazards

EUH066

存储类别

3 - Flammable liquids

wgk

WGK 1

flash_point_f

8.6 °F - closed cup

flash_point_c

-13 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

法规信息

危险化学品
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBS7782
SHBR9067
SHBQ9994
SHBP5489
SHBQ1316

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Analysis of volatile components in fresh grapefruit juice by purge and trap/gas chromatography.
Cadwallader KR & Xu Y
Journal of Agricultural and Food Chemistry, 42(3), 782-784 (1994)
Identification of Additional Volatile Compounds from Cbntaloupe.
Senter S.
Journal of Food Science, 52(4), 1097-1098 (1987)
Impact of ?ecological? post-harvest processing on the volatile fraction of coffee beans: I. Green coffee
Gonzalez-Rios O, et al.
J. Food Compos. Anal., 20(3), 289-296 (2007)
M L Senent et al.
The Journal of chemical physics, 138(4), 044319-044319 (2013-02-08)
Highly correlated ab initio calculations (CCSD(T)) are used to compute gas phase spectroscopic parameters of three isotopologues of the methyl acetate (CH(3)COOCH(3), CD(3)COOCH(3), and CH(3)COOCD(3)), searching to help experimental assignments and astrophysical detections. The molecule shows two conformers cis and
DeLu Tyler Yin et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(26), 8130-8139 (2012-05-24)
Several serine hydrolases catalyze a promiscuous reaction: perhydrolysis of carboxylic acids to form peroxycarboxylic acids. The working hypothesis is that perhydrolases are more selective than esterases for hydrogen peroxide over water. In this study, we tested this hypothesis, and focused
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