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About This Item
Empirical Formula (Hill Notation):
C6H8O2
CAS Number:
Molecular Weight:
112.13
FEMA Number:
2700
Council of Europe no.:
758
UNSPSC Code:
12164502
PubChem Substance ID:
EC Number:
201-303-2
Flavis number:
7.056
NACRES:
NA.21
Organoleptic:
caramel; coffee; maple; roasted; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, anhydrous
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
biological source
synthetic
grade
FG, Fragrance grade, Halal, Kosher, anhydrous
agency
follows IFRA guidelines
reg. compliance
EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 172.515
assay
98%
mp
104-108 °C
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
fragrance allergen
no known allergens
organoleptic
caramel; coffee; maple; roasted; sweet
SMILES string
CC1CCC(=O)C1=O
InChI
1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChI key
CFAKWWQIUFSQFU-UHFFFAOYSA-N
General description
Methyl cyclopentenolone has been identified in maple syrup, Wasanbon sugar and raw cane sugar.
Application
This material is found primarily as the enol form (CAS 80-71-7) in its pure, anhydrous state. Readily forms the diketone form (CAS 765-70-8) in solution.
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
212.0 °F
flash_point_c
100 °C
ppe
Eyeshields, Gloves, type N95 (US)
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