Methylcyclohexene

Methylcyclohexene
Names
	IUPAC name 1-Methylcyclohexene,3-Methylcyclohexene, 4-Methylcyclohexene
	Systematic IUPAC name 1-Methylcyclohexene,3-Methylcyclohexene, 4-Methylcyclohexene
	Other names 2,3,4,5-Tetrahydrotoluene or 1-Methyl-1-Cyclohexene (1-Methylcyclohexene), 1,2,3,6-Tetrahydrotoluene (4-Methylcyclohexene)
Identifiers
CAS Number	1-: 591-49-1; 3-: 591-48-0 ; 4-: 591-47-9 ;
3D model (JSmol)	1-: Interactive image; 3-: Interactive image; 4-: Interactive image;
Beilstein Reference	1304483 (1-methylcyclohexene), 1848550 (3-methylcyclohexene), 1901299 (4-methylcyclohexene)
ChemSpider	1-: 11086; 3-: 11085; 4-: 11084;
EC Number	1-: 209-718-0; 3-: 209-717-5; 4-: 209-715-4;
PubChem CID	1-: 11574; 3-: 11573; 4-: 11572;
UNII	H5WXT3SV31 ; 1-: TE4P8Q2044;
UN number	3295
CompTox Dashboard (EPA)	3-: DTXSID70862258; 4-: DTXSID10862257;
	InChI 1-: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3 Key: CTMHWPIWNRWQEG-UHFFFAOYSA-N; 3-: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3 Key: UZPWKTCMUADILM-UHFFFAOYSA-N; 4-: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3 Key: FSWCCQWDVGZMRD-UHFFFAOYSA-N;
	SMILES 1-: CC1=CCCCC1; 3-: CC1CCCC=C1; 4-: CC1CCC=CC1;
Properties
Chemical formula	C7H12
Molar mass	96.170 g/mol for 1-methylcyclohexene
Appearance	clear, liquid, colorless for 1-methylcyclohexene
Density	0.811 g/mL at 20 °C for 1-methylcyclohexene, 0.805 g/mL for 3-methylcyclohexene, 0.799 g/mL for 4-methylcyclohexene
Melting point	-120.4°C for 1-methylcyclohexene at 1 atm, -124 °C for 3-methylcyclohexene, -115.5 °C 4-methylcyclohexene
Boiling point	110 °C for 1-methylcyclohexene at 1 atm, 104 °C for 3-methylcyclohexene, 103 °C 4-methylcyclohexene
Solubility in water	0.052 g/kg for 1-methylcyclohexene
Refractive index (nD)	1.44 for 1-methylcyclohexene
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H225, H304, H315, H319, H335
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
Flash point	-3 °C
Safety data sheet (SDS)	MSDS (1-methylcyclohexene)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Methylcyclohexene refers to any one of three organic compounds consisting of cyclohexene with a methyl group substituent. The location of the methyl group relative to the cyclohexene double bond creates the three different structural isomers. These compounds are generally used as a reagent or intermediate to derive other organic compounds.^[1]

Methylcyclohexenes are a cyclic olefins. Cyclic olefins can come together to form polymers. These polymers are thermoplastics that are advantageous due to their low moisture intake, their ability to resist high temperatures, have low bireinfringence, and excellent transparency. This type of polymer material is very useful in medical instruments, packaging, fibers, and optics.

As simple molecules, methylcyclohexenes are generally available from different biochemical manufacturers.^[2]

^ Khanarian, G.; Celanese, H. (2001). "Optical Properties of Cyclic Olefin Copolymers". Optical Engineering. 40 (6): 1024. Bibcode:2001OptEn..40.1024K. doi:10.1117/1.1369411.
^ PubChem. "List of vendors for 1-Methylcyclohexene". pubchem.ncbi.nlm.nih.gov. Retrieved 2024-06-01.

[Optical_Properties_of_Cyclic_Olefin_Copolymers-1] Khanarian, G.; Celanese, H. (2001). "Optical Properties of Cyclic Olefin Copolymers". Optical Engineering. 40 (6): 1024. Bibcode:2001OptEn..40.1024K. doi:10.1117/1.1369411.

[2] PubChem. "List of vendors for 1-Methylcyclohexene". pubchem.ncbi.nlm.nih.gov. Retrieved 2024-06-01.

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