3-Methyl-3-phenylbutan-2-one
Basic information
- CAS
770-85-4- Standard SMILES
CC(=O)C(C)(C)c1ccccc1- InChIKey
LWBNJLNAXDUONB-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 3-Methyl-3-phenylbutan-2-one
- IUPAC
- 3-methyl-3-phenylbutan-2-one
Names & synonyms
3-methyl-3-phenylbutan-2-one770-85-4DTXSID00301322RefChem:280856DTXCID50252456825-446-03-methyl-3-phenyl-2-butanone3-methyl-3-phenyl-butan-2-one2-Butanone, 3-methyl-3-phenyl-cumyl methyl ketoneSCHEMBL343807LWBNJLNAXDUONB-UHFFFAOYSA-N
Show more names
AAA77085MFCD00101917AKOS005216864AT22669alpha,alpha-dimethylbenzyl methyl ketoneCS-0257824EN300-68198Z406676998
Database identifiers
- CAS
770-85-4- PubChem CID
- 285462
- DTXSID
DTXSID00301322- EC Number
- 825-446-0
- Nikkaji
- J496.624D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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 CategoriesAcute Tox. 5 (100%)
Suppliers
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Related reactions
6 records
Compound notes
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