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About This Item
Empirical Formula (Hill Notation):
C6H8O2
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-154-8
Beilstein/REAXYS Number:
2076520
MDL number:
Assay:
99%
Form:
solid
Quality Segment
assay
99%
form
solid
mp
104-108 °C (lit.)
functional group
ketone
SMILES string
CC1CCC(=O)C1=O
InChI
1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
InChI key
OACYKCIZDVVNJL-UHFFFAOYSA-N
General description
3-Methyl-1,2-cyclopentanedione is present in coffee and is capable of scavenging peroxynitrite. It also has anti-inflammatory effects.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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