4-Phenylpentan-2-one
Basic information
- CAS
17913-10-9- Standard SMILES
CC(=O)CC(C)c1ccccc1- InChIKey
SYOVWIRLZABVDO-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 4-Phenylpentan-2-one
- IUPAC
- 4-phenylpentan-2-one
- English name
- 4-phenylpentan-2-one
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
4-Phenylpentan-2-one17913-10-92-Pentanone, 4-phenyl-4-phenyl-2-pentanoneEINECS 241-857-2DTXSID20939181RefChem:526437DTXCID001000526241-857-24-phenyl-pentan-2-onestarbld0038480SCHEMBL1149358
Show more names
SCHEMBL7951536SCHEMBL8875068MFCD09891028AKOS006313016NS00051750
Database identifiers
- CAS
17913-10-9- PubChem CID
- 86636
- DTXSID
DTXSID20939181- EC Number
- 241-857-2
- Nikkaji
- J260.794H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 71 · 71-73 °C
- Boiling point
- 109 · 109-110 °C(Press: 11 Torr)
- Density
- 0.9708 g/cm3 · 0.9708 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Regulatory InformationChemical: 2-Pentanone, 4-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
13 records
Compound notes
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