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Name Cyclohexanone
CAS 108-94-1
EINECS(EC#) 203-631-1
Molecular Formula C6H10O
MDL Number MFCD00001625
Molecular Weight 98.14
MOL File 108-94-1.mol

Chemical Properties

Appearance Cyclohexanone is a water-white to slightly yellow liquid with a peppermint-like or acetone-like odor. The Odor Threshold is 0.12 0.24 ppm in air.
Melting point  -47 °C
Boiling point  155 °C(lit.)
density  0.947 g/mL at 25 °C(lit.)
vapor density  3.4 (vs air)
vapor pressure  3.4 mm Hg ( 20 °C)
FEMA  3909
refractive index  n20/D 1.450(lit.)
Fp  116 °F
storage temp.  Flammables area
solubility  90g/l
form  Liquid
pka 17(at 25℃)
color  APHA: ≤10
Odor Like peppermint and acetone.
PH 7 (70g/l, H2O, 20℃)
Relative polarity 0.281
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
explosive limit 1.1%, 100°F
Odor Type minty
Water Solubility  150 g/L (10 ºC)
JECFA Number 1100
Merck  14,2726
BRN  385735
Henry's Law Constant 1.2 x 10-5 atm?m3/mol at 25 °C (Hawthorne et al., 1985) 6.92 x 10-5 atm?m3/mol at 60.00 °C, 10.7 at 70.00 °C, 16.4 at 80.00 °C (headspace-GC, Hovorka et al., 2002)
Exposure limits TLV-TWA 100 mg/m3 (25 ppm) (ACGIH); IDLH 5000 ppm (NIOSH).
Contact allergens
Used as a polyvinyl chloride solvent, cyclohexanone caused contact dermatitis in a woman manufacturing PVC fluidotherapy bags. Cyclohexanone probably does not cross-react with cyclohexanone resin. A cyclohexanone-derived resin used in paints and varnishes caused contact dermatitis in painters
LogP 0.86 at 25℃
CAS DataBase Reference 108-94-1(CAS DataBase Reference)
IARC 3 (Vol. 47, 71) 1999
NIST Chemistry Reference Cyclohexanone(108-94-1)
EPA Substance Registry System 108-94-1(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20:Harmful by inhalation.
Safety Statements 
S25:Avoid contact with eyes .
RIDADR  UN 1915 3/PG 3
WGK Germany  1
RTECS  GW1050000
Autoignition Temperature 788 °F
HazardClass  3
PackingGroup  III
HS Code  29142200
Safety Profile
Suspected carcinogen. Moderately toxic by ingestion, inhalation, subcutaneous, intravenous, and intraperitoneal routes. A skin and severe eye irritant. Human systemic effects by inhalation: changes in the sense of smell, conjunctiva irritation, and unspecified respiratory system changes. Human irritant by inhalation. Mdd narcotic properties have also been ascribed to it. Human mutation data reported. Experimental reproductive effects. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. Slight explosion hazard in its vapor form, when exposed to flame.Reaction with hydrogen peroxide + nitric acid forms an explosive peroxide. To fight fire, use alcohol foam, dry chemical, or COa. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES and CYCLOHEXANE.
Hazardous Substances Data 108-94-1(Hazardous Substances Data)
LD50 orally in rats: 1.62 ml/kg (Smyth)
IDLA 700 ppm

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