5,5-Dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione
Basic information
- CAS
893727-50-9- Standard SMILES
Cc1ccc(C(=O)CC2C(=O)CC(C)(C)CC2=O)cc1- InChIKey
IGQXCNOHYWKSRS-UHFFFAOYSA-N- Molecular formula
- C17H20O3
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.1412445
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione
- IUPAC
- 5,5-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione
Names & synonyms
5,5-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione893727-50-9TKB72750SBB040951AKOS000269086CS-0222310EN300-110814G45338Z14313218875,5-dimethyl-2-[2-oxo-2-(p-tolyl)ethyl]cyclohexane-1,3-dione
Database identifiers
- CAS
893727-50-9- PubChem CID
- 16637148
- EC Number
- 157-280-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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