3,3-Dimethyl-2-phenylcyclobutan-1-one
Basic information
- CAS
118526-95-7- Standard SMILES
CC1(C)CC(=O)C1c1ccccc1- InChIKey
VOPKZXHBZINPAK-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-phenylcyclobutan-1-one
- IUPAC
- 3,3-dimethyl-2-phenylcyclobutan-1-one
Names & synonyms
3,3-dimethyl-2-phenylcyclobutan-1-one118526-95-7EN300-33041347
Database identifiers
- CAS
118526-95-7- PubChem CID
- 85577839
- EC Number
- 174-893-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…