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About This Item
Linear Formula:
(CH3)2CHCH2COOCH3
CAS Number:
Molecular Weight:
116.16
FEMA Number:
2753
Council of Europe no.:
457
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.462
EC Number:
209-117-3
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
1699922
Organoleptic:
apple; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
biological source
synthetic
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
assay
≥99%
refractive index
n
bp
114-115 °C (lit.)
density
0.881 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; fruity; sweet
SMILES string
COC(=O)CC(C)C
InChI
1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChI key
OQAGVSWESNCJJT-UHFFFAOYSA-N
Signal Word
Danger
Hazard Codes
Precautionary Statements
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
Flash Point (°F)
57.9 °F - closed cup
Flash Point (°C)
14.4 °C - closed cup
PPE (personal protective equipment)
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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