Basic information
- CAS
2235-83-8- Standard SMILES
CC(=O)CCCc1ccccc1- InChIKey
DGMYRPFYNFQCHM-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 5-Phenyl-2-pentanone
- IUPAC
- 5-phenylpentan-2-one
- English name
- 5-phenylpentan-2-one
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
5-Phenylpentan-2-one2235-83-82-Pentanone, 5-phenyl-5-PHENYL-2-PENTANONERJ8YU7ZU4EAI3-11039NSC-167086DTXSID10176886RefChem:1073228DTXCID9099377218-794-4MFCD01024555
Show more names
phenyl ethylidene acetone
Methyl 3-phenylpropyl ketoneEINECS 218-794-4NSC167086SCHEMBL110777NSC 167086MS-22895PD171230CS-0376741
Database identifiers
- CAS
2235-83-8- PubChem CID
- 16701
- DTXSID
DTXSID10176886- UNII
- RJ8YU7ZU4E
- EC Number
- 218-794-4
- Nikkaji
- J113.061G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.42
Physicochemical properties
- Melting point
- 106 · 106-107 °C
- Boiling point
- 132.5 °C · 132.5 °C(Press: 17 Torr)
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (616.41 mM; Need ultrasonic)
- form
- Liquid
- color
- Colorless to light yellow
- Odor
- 100 % · at 100.00 %. floral sweet pea
- Odor Type
- floral
- LogP
- 2.42 · 2.420
- FDA UNII
- 8 YU7ZU4E · RJ8YU7ZU4E
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-phenylpentan-2-one has been used in several well known specialties, mostly of the sweet-floral type.
Preparation methods
Preparation5-phenylpentan-2-one is prepared by condensation of Phenylacetaldehyde with Acetone.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
3 records
Compound notes
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