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About This Item
Linear Formula:
CH3C6H9(=O)
CAS Number:
Molecular Weight:
112.17
EC Number:
MDL number:
UNSPSC Code:
12352115
PubChem Substance ID:
NACRES:
NA.22
Quality Level
assay
98%
optical activity
[α]24/D +13.5°, neat
optical purity
ee: 99% (GLC)
refractive index
n20/D 1.446 (lit.)
bp
168-169 °C (lit.)
density
0.916 g/mL at 25 °C (lit.)
SMILES string
C[C@@H]1CCCC(=O)C1
InChI
1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChI key
UJBOOUHRTQVGRU-ZCFIWIBFSA-N
Application
(R)-(+)-3-Methylcyclohexanone may be used in the preparation of (R)-5-methyl-2-(1-methylethylidene-d6)-cyclohexanone [(R)-(+)-pulegone-d6].
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