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Structure

5-Methyl-3-hexen-2-one

CAS
5166-53-0
Catalog Number
ACM5166530
Category
Other Products
Molecular Weight
112.17
Molecular Formula
C7H12O

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Specification

Synonyms
5-METHYL-3-HEXEN-2-ONE, 3-Hexen-2-one, 5-methyl-, 5-Methylhex-3-en-2-one, 2-Oxo-5-methylhex-3-ene, FEMA No. 3409, 187607_ALDRICH, EINECS 225-950-5, (E)-5-Methyl-3-hexen-2-one, 3-Hexen-2-one, 5-methyl-, trans, BRN 1720101, MolPort-001-766-078, BB_NC-2028, 3-Hexen-2-one, 5-methyl-, (E)-, AI3-22171, CID5363140, LS-2933, M1146, 3-01-00-03005 (Beilstein Handbook Reference), 1821-29-0, 5166-53-0
IUPAC Name
(E)-5-methylhex-3-en-2-one
Canonical SMILES
CC(C)C=CC(=O)C
InChI Key
IYMKNYVCXUEFJE-SNAWJCMRSA-N
Boiling Point
150.7ºC at 760mmHg
Flash Point
47.5ºC
Density
0.829g/cm³
EC Number
225-950-5
Exact Mass
112.08900
Hazard Statements
Xn
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S16:Keep away from sources of ignition - No smoking .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice imm
WGK Germany
3
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