Basic information
- CAS
1444-65-1- Standard SMILES
O=C1CCCCC1c1ccccc1- InChIKey
DRLVMOAWNVOSPE-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 2-Phenylcyclohexanone
- IUPAC
- 2-phenylcyclohexan-1-one
- English name
- 2-PHENYLCYCLOHEXANONE
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
2-Phenylcyclohexanone1444-65-1Cyclohexanone, 2-phenyl-EINECS 215-888-7NSC 22252AI3-07036DTXSID501314883Cyclohexanone, 2phenylRefChem:478158DTXCID40835217215-888-72-phenylcyclohexan-1-one
Show more names
2-Phenylcyclohexanone>2-Phenylcyclohexanone 98%alpha-Phenylcyclohexanone2-Phenylcyclohexanone,98%(2R)-2-cyclohexyl-1-cyclohexanone
MFCD00001629phenyl cyclohexanone2- phenylcyclohexanoneNSC22252rac-2-phenylcyclohexanoneSCHEMBL190786DRLVMOAWNVOSPE-UHFFFAOYSA-NSC-22252
Database identifiers
- CAS
1444-65-1- PubChem CID
- 95592
- DTXSID
DTXSID501314883- EC Number
- 215-888-7
- Nikkaji
- J1.766C
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
- 180
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 56 · 56-59 °C(lit.)
- Boiling point
- 161 · 161-163℃ (16 Torr)
- Density
- 0.9669 · 0.9669 (rough estimate)
- refractive index
- 1.518 · 1.5180 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- Water Solubility
- Slightly soluble in water.
- BRN
- 1368883 · 1368883
- InChI
- 1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
Safety & regulation
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Cyclohexanone. See Bicyclohexanone.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29143900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Phenylcyclohexanone is a substrate for steroid monooxygenase (STMO) from Rhodococcus rhodochrous DSM 43269.
Upstream & downstream products
Upstream raw materials
Related reactions
34 records
Compound notes
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