| Identification | More | [Name]
1-METHYL-1-CYCLOHEXENE | [CAS]
591-49-1 | [Synonyms]
1-METHYL-1-CYCLOHEXENE
1-METHYLCYCLOHEX-1-ENE
1-METHYLCYCLOHEXENE
2,3,4,5-TETRAHYDROTOLUENE
2-METHYLCYCLOHEXENE
1-methyl-cyclohexen
1-Methylcyclohexene-1
alpha-Methylcyclohexene
cyclohexene,1-methyl-
1-Methyl-1-cyclohexene, stabilized, 98+%
1-METHYL-1-CYCLOHEXENE: TECH., 75%
1-METHYL-1-CYCLOHEXENE 98+%
1-Methyl-1-cyclohexene, 98+%, stabilized
1-Methyl-1-cyclohexene, stabilized | [EINECS(EC#)]
209-718-0 | [Molecular Formula]
C7H12 | [MDL Number]
MFCD00001548 | [Molecular Weight]
96.17 | [MOL File]
591-49-1.mol |
| Chemical Properties | Back Directory | [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 | Back Directory | [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 | Back Directory | [Chemical Properties]
colourless liquid | [Physical properties]
Clear, colorless, very flammable, watery liquid with a characteristically unpleasant, aromatic
hydrocarbon-type odor. | [Uses]
1-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 Description]
1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) is a sterically hindered, unactivated alkene. | [Environmental Fate]
Photolytic. 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 Methods]
Free 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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