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591-49-1

Name 1-METHYL-1-CYCLOHEXENE
CAS 591-49-1
EINECS(EC#) 209-718-0
Molecular Formula C7H12
MDL Number MFCD00001548
Molecular Weight 96.17
MOL File 591-49-1.mol

Chemical Properties

Appearance colourless liquid
Melting point  -119.4°C
Boiling point  110-111 °C (lit.)
density  0.811 g/mL at 20 °C(lit.)
vapor pressure  27.4 at 20.2 °C, 36.4 at 25.0 °C (transpiration method, Verevkin et al., 2000)
refractive index  n20/D 1.45(lit.)
Fp  25 °F
storage temp.  Flammables area
solubility  Soluble in benzene and ether (Weast, 1986) and miscible with many hydrocarbons similar in chemical structure, e.g., cyclohexane, cyclohexene, etc.
form  Liquid
color  Clear colorless
Odor at 1.00 % in dipropylene glycol. lime citrus
Stability: Stable, but may be prone to polymerization. May be stabilized by the addition of around 10 ppm hydroquinone. Highly flammable. Incompatible with strong oxidizing agents.
Odor Type citrus
Water Solubility  52 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966)
BRN  1304483
Henry's Law Constant 8.86 x 10-2 atm?m3/mol at 25 °C (approximate - calculated from water solubility and vapor pressure)
InChIKey CTMHWPIWNRWQEG-UHFFFAOYSA-N
LogP 3.333 (est)
CAS DataBase Reference 591-49-1(CAS DataBase Reference)
EPA Substance Registry System Cyclohexene, 1-methyl- (591-49-1)

Safety Data

Hazard Codes  F,Xn,Xi
Risk Statements 
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage if swallowed.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
RIDADR  UN 3295 3/PG 2
WGK Germany  2
Hazard Note  Irritant
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29021900

Hazard Information

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