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About This Item

Linear Formula:
CH3COOCH2CH(CH3)2
CAS Number:
Molecular Weight:
116.16
FEMA Number:
2175
Beilstein/REAXYS Number:
1741909
EC Number:
Council of Europe no.:
195c
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.005
NACRES:
NA.21
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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grade

FG
Halal
Kosher
natural

Quality Level

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)

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

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

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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General description

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

Biochem/physiol Actions

Taste at 10 ppm

pictograms

FlameExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

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


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