591-24-2

Name 3-METHYLCYCLOHEXANONE
CAS 591-24-2
EINECS(EC#) 209-710-7
Molecular Formula C7H12O
MDL Number MFCD00001639
Molecular Weight 112.17
MOL File 591-24-2.mol
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Chemical Properties

Appearance CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
Melting point  -73 °C
alpha  [α]D20 0.0±0.5゜ (neat)
Boiling point  169-170 °C (lit.)
density  0.914 g/mL at 25 °C(lit.)
FEMA  3947
refractive index  n20/D 1.446(lit.)
Fp  125 °F
storage temp.  Flammables area
form  Liquid
color  Clear colorless to very slightly yellow
Odor at 10.00 % in dipropylene glycol. minty camphor medicinal
biological source synthetic
Odor Type camphoreous
Water Solubility  1.498g/L(20 ºC)
JECFA Number 1103
BRN  969804
Henry's Law Constant 6.7×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 12.4
InChI 1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey UJBOOUHRTQVGRU-UHFFFAOYSA-N
SMILES CC1CCCC(=O)C1
LogP 1.25
CAS DataBase Reference 591-24-2(CAS DataBase Reference)
EPA Substance Registry System Cyclohexanone, 3-methyl- (591-24-2)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R10:Flammable.
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 2297 3/PG 3
WGK Germany  1
RTECS  GW1750100
TSCA  TSCA listed
REACH Registrations Active
HazardClass  3.2
PackingGroup  III
HS Code  29142200
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3

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