6-Acetyl-3-methyl-2-cyclohexen-1-one
Basic information
- CAS
51742-11-1- Standard SMILES
CC(=O)C1CCC(C)=CC1=O- InChIKey
CRHGSBGMOSDOKP-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 6-Acetyl-3-methyl-2-cyclohexen-1-one
- IUPAC
- 6-acetyl-3-methylcyclohex-2-en-1-one
- English name
- 6-Acetyl-3-methyl-2-cyclohexene-1-one
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
6-acetyl-3-methyl-2-cyclohexen-1-oneRefChem:540024654-541-851742-11-16-acetyl-3-methylcyclohex-2-en-1-oneNSC75758NCIOpen2_000641DTXSID30291469NSC-75758AKOS006281265DB-0520156-Acetyl-3-methyl-2-cyclohexene-1-one
Show more names
2-Cyclohexen-1-one, 6-acetyl-3-methyl-
Database identifiers
- CAS
51742-11-1- PubChem CID
- 253176
- DTXSID
DTXSID30291469- EC Number
- 654-541-8
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
0 records
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Compound notes
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