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5-Methyl-3-hexen-2-one Structure

5-Methyl-3-hexen-2-one

Chemical Properties

Boiling point 157°C
Density  0.85 g/mL at 25 °C (lit.)
FEMA  3409 | 5-METHYL-3-HEXEN-2-ONE
refractive index  n20/D 1.44(lit.)
Flash point 118 °F
storage temp.  Storage temp. 2-8°C
form  clear liquid
color  Colorless to Light yellow to Light orange
Odor at 100.00 %. sweet berry cheese
Odor Type fruity
JECFA Number 1132
InChI 1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+
InChIKey IYMKNYVCXUEFJE-SNAWJCMRSA-N
SMILES CC(C)\C=C\C(C)=O
LogP 1.44
CAS DataBase Reference 5166-53-0(CAS DataBase Reference)
EPA Substance Registry System 3-Hexen-2-one, 5-methyl- (5166-53-0)

Safety Information

Hazard Codes  Xn,T
Risk Statements  10-20/21/22-24-20/22
Safety Statements  16-27-36/37/39-45-36/37
RIDADR  UN 1992 3/PG 3
WGK Germany  3
RTECS  MP8750000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  2914199090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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