173614
4-Methylcyclohexanone
99%
Synonym(s):
Tetrahydro-p-cresol
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About This Item
Linear Formula:
CH3C6H9(=O)
CAS Number:
Molecular Weight:
112.17
Beilstein:
506746
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
liquid
refractive index
n20/D 1.4443 (lit.)
bp
169-171 °C (lit.)
density
0.914 g/mL at 25 °C (lit.)
functional group
ketone
SMILES string
CC1CCC(=O)CC1
InChI
1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChI key
VGVHNLRUAMRIEW-UHFFFAOYSA-N
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Application
4-Methylcyclohexanone was used in the synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
118.4 °F - closed cup
Flash Point(C)
48 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Ming-Tsang Hsieh et al.
Organic & biomolecular chemistry, 7(16), 3285-3290 (2009-07-31)
Starting from 4-methylcyclohexanone (7), a concise total synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form, has been accomplished in 14 steps with an overall yield of 14.5%.
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