M39008

4-Methylcyclohexene

99%

• Synonym(s): 1,2,3,6-Tetrahydrotoluene
• Linear Formula: C₆H₉CH₃
• CAS Number: 591-47-9
• Molecular Weight: 96.17
• Beilstein/REAXYS Number: 1901299
• EC Number: 209-715-4
• MDL number: MFCD00001573
• UNSPSC Code: 12352100
• PubChem Substance ID: 24896885
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: liquid
• refractive index: n20/D 1.441 (lit.)
• bp: 101-102 °C (lit.)
• density: 0.799 g/mL at 25 °C (lit.)
• SMILES string: CC1CCC=CC1
• InChI: 1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
• InChI key: FSWCCQWDVGZMRD-UHFFFAOYSA-N

Description

Application

4-Methylcyclohexene is used in the synthesis of an enantiomerically pure oxaliplatin derivative, {(1R,2R,4R)-4-Methyl-1,2-cyclohexanediamine}oxalatoplatinum(II), which exhibits good anticancer activity. It is also used in the preparation of N,N-diethyldithiocarbamate functionalized 1,4-polyisoprenes.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H319,H335
• pcodes: P210 - P301 + P310 + P331 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 19.4 °F - closed cup
• flash_point_c: -7 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter