589-92-4

Name 4-Methylcyclohexanone
CAS 589-92-4
EINECS(EC#) 209-665-3
Molecular Formula C7H12O
MDL Number MFCD00001643
Molecular Weight 112.17
MOL File 589-92-4.mol
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Chemical Properties

Appearance CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
Melting point  -41 °C
Boiling point  169-171 °C (lit.)
density  0.914 g/mL at 25 °C(lit.)
vapor pressure  20 hPa (65 °C)
FEMA  3948
refractive index  n20/D 1.4443(lit.)
Fp  105 °F
storage temp.  Flammables area
form  Liquid
color  Clear colorless to slightly yellow
Odor at 10.00 % in propylene glycol. musty animal
biological source synthetic
Odor Type animal
Water Solubility  Not miscible in water.
Usage Intermediates of Liquid Crystals
JECFA Number 1104
BRN  506746
Dielectric constant 12.4
Major Application flavors and fragrances
InChI 1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey VGVHNLRUAMRIEW-UHFFFAOYSA-N
SMILES CC1CCC(=O)CC1
LogP 1.33 at 20℃
CAS DataBase Reference 589-92-4(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexanone, 4-methyl-(589-92-4)
EPA Substance Registry System 589-92-4(EPA Substance)
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Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302
Precautionary statements  P210-P301+P312+P330
Hazard Codes  Xn,Xi
Risk Statements 
R10:Flammable.
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
RIDADR  UN 2297 3/PG 3
WGK Germany  1
RTECS  GW1750200
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29142200
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3
Toxicity
LD50 orally in Rabbit: 800 mg/kg

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