3-Phenylbutan-2-one
Basic information
- CAS
769-59-5- Standard SMILES
CC(=O)C(C)c1ccccc1- InChIKey
CVWMNAWLNRRPOL-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 3-Phenylbutan-2-one
- IUPAC
- 3-phenylbutan-2-one
- English name
- 3-phenylbutan-2-one
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
3-Phenylbutan-2-one3-Phenyl-2-butanoneEINECS 212-212-2DTXSID801315573NSC 33705NSC 33953RefChem:504930DTXCID70947231212-212-2769-59-52-Butanone, 3-phenyl-1-Methyl-1-phenyl-2-propanone
Show more names
3-phenyl-2-butylone
MFCD00156648NSC-33705NSC-33953NSC339532-Phenyl-3-butanone3-phenyl-butan-2-one3-Phenyl-2-butanone #(+/-)-3-Phenylbutanone
Database identifiers
- CAS
769-59-5- PubChem CID
- 97744
- DTXSID
DTXSID801315573- UNII
- 5PA78K9UNT
- EC Number
- 212-212-2
- Nikkaji
- J126.150I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 210 · 210-212 °C
- Density
- 0.9952 g/cm3 · 0.9952 g/cm3(Temp: 0 °C)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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