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About This Item
Linear Formula:
CH3C5H5(=O)
CAS Number:
Molecular Weight:
96.13
Beilstein/REAXYS Number:
1280476
MDL number:
Flavis number:
7.112
biological source
synthetic
assay
≥97%
refractive index
n20/D 1.488 (lit.)
bp
74 °C/15 mmHg (lit.)
mp
3-5 °C (lit.)
density
0.980 g/mL at 20 °C
0.971 g/mL at 25 °C (lit.)
SMILES string
CC1=CC(=O)CC1
InChI
1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
InChI key
CHCCBPDEADMNCI-UHFFFAOYSA-N
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Features and Benefits
Sweet, fruity, fatty, stinging, chemical
Certificates of Analysis (COA)
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