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About This Item
Linear Formula:
CH3C6H7(=O)
CAS Number:
Molecular Weight:
110.15
Beilstein:
1560601
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
154.4 °F - closed cup
Flash Point(C)
68 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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