5166-53-0

Name 5-METHYL-3-HEXEN-2-ONE
CAS 5166-53-0
EINECS(EC#) 225-950-5
Molecular Formula C7H12O
MDL Number MFCD00012166
Molecular Weight 112.17
MOL File 5166-53-0.mol
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Chemical Properties

Boiling point  157°C
density  0.85 g/mL at 25 °C(lit.)
FEMA  3409
refractive index  n20/D 1.44(lit.)
Fp  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 Data

Hazard Codes  Xn
Risk Statements 
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
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 immediately (show label where possible) .
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

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