M39105

3-Methyl-2-cyclohexenone

98%, Stabilized

• Linear Formula: CH₃C₆H₇(=O)
• CAS Number: 1193-18-6
• Molecular Weight: 110.15
• Beilstein/REAXYS Number: 1560601
• EC Number: 214-769-7
• MDL number: MFCD00001581
• UNSPSC Code: 12352100
• PubChem Substance ID: 24896886
• NACRES: NA.22

Properties

• assay: 98%
• refractive index: n20/D 1.494 (lit.)
• bp: 199-200 °C (lit.)
• density: 0.971 g/mL at 25 °C (lit.)
• SMILES string: CC1=CC(=O)CCC1
• InChI: 1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
• InChI key: IITQJMYAYSNIMI-UHFFFAOYSA-N

Description

Application

3-Methyl-2-cyclohexenone is an insect sex pheromone of the Douglas-fir beetle. It can be used as a starting material:

• In the total synthesis of (−)-ar-tenuifolene, a naturally occurring aromatic sesquiterpene.
• To synthesize an organic building block 2-trimethylsilyl-3-methyl-cyclohexenone.
• In the total synthesis of natural diterpenoids (+)-taiwaniaquinone H and (+)-dichroanone.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 154.4 °F - closed cup
• flash_point_c: 68 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter