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Merck
CN

W217514

乙酸异丁酯

natural, ≥97%, 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.:
195c
UNSPSC Code:
12164502
PubChem Substance ID:
24900889
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
Halal
Kosher
natural
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

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产品名称

乙酸异丁酯, natural, ≥97%, FCC, FG

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

SMILES string

CC(C)COC(C)=O

InChI key

GJRQTCIYDGXPES-UHFFFAOYSA-N

InChI

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

grade

FG
Halal
Kosher
natural

agency

meets purity specifications of JECFA

reg. compliance

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

vapor density

>4 (vs air)

vapor pressure

15 mmHg ( 20 °C)

assay

≥97%

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)

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

organoleptic

apple; banana; fruity; ethereal; sweet

Quality Level

300
400

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相关类别

Biochem/physiol Actions

10ppm 时的味道

General description

Natural occurrence: Apple, banana, cocoa, fig, grape, grape brandy, pear, pineapple, sherry, strawberry and wine.

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
SHBT3881
SHBP2310
SHBP7614
SHBN5181
SHBL9366

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 1441-1442 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1441-1442 (1997)
Microbial production of scent and flavor compounds
Carroll AL, et al
Current Opinion in Biotechnology, 37, 8-15 (2016)
Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 28, 103-103 (2003)
Y H Yoon et al.
American Industrial Hygiene Association journal, 51(6), 319-325 (1990-06-01)
A previously developed theoretical model was applied to investigate contaminant breakthrough on charcoal sampling tubes. Associated with the model are two important theoretical parameters. These parameters are k' (a rate constant) and tau (the time required for 50% contaminant breakthrough).
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