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Methylheptenone
[CAS# 409-02-9]

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Identification
Classification Flavors and spices >> Synthetic spice >> Ketone fragrance >> Acyclic aliphatic ketone
Name Methylheptenone
Synonyms 67320_Fluka; 6-Methyl-5-Hepten-2-One; C07287
Molecular Formula C8H14O
Molecular Weight 126.20
CAS Registry Number 409-02-9
EINECS 206-990-2
SMILES C(C(=O)C)CC=C(C)C
InChI 1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
0.8±0.1g/cm3 (Cal.)
Melting point -67°C (Expl.)
Boiling point 173.3±9.0°C at 760 mmHg (Cal.)
172-174°C (Expl.)
Flash point 50.556°C (Cal.)
56°C (Expl.)
Refractive index 1.439 (Expl.)
Safety Data
Safety Description DANGER: FLAMMABLE, irritates skin and eyes
References
(1) S. Riazanskaia, G. Blackburn, M. Harker, D. Taylor and C. L. P. Thomas. The analytical utility of thermally desorbed polydimethylsilicone membranes for in-vivo sampling of volatile organic compounds in and on human skin, Analyst, 2008, 133, 1020.
Market Analysis Reports
List of Reports Available for Methylheptenone
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