1-METHYL-1-CYCLOHEXENE
Synonym(s):2,3,4,5-Tetrahydrotoluene
- CAS NO.：591-49-1
- Empirical Formula: C7H12
- Molecular Weight: 96.17
- MDL number: MFCD00001548
- EINECS: 209-718-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-09-25 17:15:13
What is 1-METHYL-1-CYCLOHEXENE?
Chemical properties
colourless liquid
Physical properties
Clear, colorless, very flammable, watery liquid with a characteristically unpleasant, aromatic hydrocarbon-type odor.
The Uses of 1-METHYL-1-CYCLOHEXENE
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.]
Properties of 1-METHYL-1-CYCLOHEXENE
| 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 | n |
| Flash point: | 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 |
| Odor | at 1.00 % in dipropylene glycol. lime 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) |
| 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. |
| CAS DataBase Reference | 591-49-1(CAS DataBase Reference) |
| EPA Substance Registry System | Cyclohexene, 1-methyl- (591-49-1) |
Safety information for 1-METHYL-1-CYCLOHEXENE
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for 1-METHYL-1-CYCLOHEXENE
| InChIKey | CTMHWPIWNRWQEG-UHFFFAOYSA-N |
1-METHYL-1-CYCLOHEXENE manufacturer
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product: 1-METHYL-1-CYCLOHEXENE 591-49-1 98+
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