Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1CCCC(=O)C1=O
InChI
InChIKey=JDXJKLGWPNXSHL-UHFFFAOYSA-N
InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Cooperative strengthening of an intramolecular O-H...O hydrogen bond by a weak C-H...O counterpart: matrix-isolation infrared spectroscopy and quantum chemical studies on 3-methyl-1,2-cyclohexanedione. | 2010-02-04 |
|
| Volatile organic compounds with characteristic odor in bamboo vinegar. | 2006-11 |
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JECFA EVALUATION |
1-METHYL-2,3-CYCLOHEXADIONE
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admin on Mon Mar 31 19:18:51 GMT 2025 , Edited by admin on Mon Mar 31 19:18:51 GMT 2025
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221-122-2
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2GKY1ALK5L
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431
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3321360
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3008-43-3
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DTXSID9047675
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SUBSTANCE RECORD
