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2-Methylcyclohexane-1,3-dione
Catalog Number
ACM1193551
Product Name
2-Methylcyclohexane-1,3-dione
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/1193-55-1.gif)
CAS
1193-55-1
Synonyms
2-METHYLCYCLOHEXAN-1,3-DIONE; 2-methyl cyclohexane-1,3-dione; ACMC-209a2g; 2-methyl-1,3-cyclohexandione; BR-47766; 1,3-dimethylcycloadipic ketone; PubChem15384; 2-Methyl-1,3-cyclohexanedione, 98+%; MCULE-6372223277; VSGJHHIAMHUZKF-UHFFFAOYSA-N;
IUPAC Name
2-methylcyclohexane-1,3-dione;
Molecular Weight
126.155g/mol
Molecular Formula
C7H10O2;
Canonical SMILES
CC1C(=O)CCCC1=O;
InChI
InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3;
InChI Key
VSGJHHIAMHUZKF-UHFFFAOYSA-N;
Storage
0-6°C
Complexity
133
Covalently-Bonded Unit Count
1
EC Number
214-773-9
Exact Mass
126.068g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
126.068g/mol
NSC Number
54460
Topological Polar Surface Area
34.1A^2
Application
2-Methylcyclohexane-1,3-dione serves as an essential synthetic intermediate, particularly valuable in the synthesis of pharmaceuticals. This compound, appearing as a white to salmon-colored powder, is a crucial starting material in the formal synthesis of acorone. Its applications extend beyond pharmaceuticals, as it is also employed in organic synthesis and the development of agrochemicals.
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