1-METHYL-1-CYCLOHEXENE

1-METHYL-1-CYCLOHEXENE
  • CAS No.:591-49-1
Other grades of this product :
1-METHYL-1-CYCLOHEXENE Basic information
Product Name:1-METHYL-1-CYCLOHEXENE
Synonyms:1-methyl-cyclohexen;1-Methylcyclohexene-1;alpha-Methylcyclohexene;cyclohexene,1-methyl-;1-METHYL-1-CYCLOHEXENE;1-METHYLCYCLOHEXENE;1-METHYLCYCLOHEX-1-ENE;2,3,4,5-TETRAHYDROTOLUENE
CAS:591-49-1
MF:C7H12
MW:96.17
EINECS:209-718-0
Product Categories:Alkenes;Building Blocks;Chemical Synthesis;Cyclic;Organic Building Blocks
Mol File:591-49-1.mol
1-METHYL-1-CYCLOHEXENE Chemical Properties
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. Sealed in dry,Room Temperature
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
Water Solubility 52 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966)
BRN 1304483
Henry's Law Constant8.86 x 10-2 atm?m3/mol at 25 °C (approximate - calculated from water solubility and vapor pressure)
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.
InChIKeyCTMHWPIWNRWQEG-UHFFFAOYSA-N
CAS DataBase Reference591-49-1(CAS DataBase Reference)
EPA Substance Registry SystemCyclohexene, 1-methyl- (591-49-1)
Safety Information
Hazard Codes F,Xn,Xi
Risk Statements 11-36/37/38-65
Safety Statements 16-26-36-62
RIDADR UN 3295 3/PG 2
WGK Germany 2
Hazard Note Irritant
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29021900
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
1-METHYL-1-CYCLOHEXENE Usage And Synthesis
Chemical Propertiescolourless liquid
Physical propertiesClear, colorless, very flammable, watery liquid with a characteristically unpleasant, aromatic hydrocarbon-type odor.
Uses1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) was used to study the secondary organic aerosol (SOA) yields from the ozonolysis of cycloalkenes.
Synthesis Reference(s)The Journal of Organic Chemistry, 45, p. 917, 1980 DOI: 10.1021/jo01293a030
General Description1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) is a sterically hindered, unactivated alkene.
Environmental fatePhotolytic. Atkinson (1985) reported a rate constant of 9.45 x 10-11 cm3/molecule?sec for the reaction of 1-methylcyclohexene with OH radicals in the atmosphere.
Purification MethodsFree it from hydroperoxides by passing through a column containing basic alumina or refluxing with cupric stearate, filter and fractionally distil it from sodium. [Vogel J Chem Soc 1332 1938, Cope et al. J Am Chem Soc 79 4729 1957, Beilstein 5 III 197, 5 VI 245.]

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