Cyclohexyl phenyl ketone
Basic information
- CAS
712-50-5- Standard SMILES
O=C(c1ccccc1)C1CCCCC1- InChIKey
BMFYCFSWWDXEPB-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Overview
structure
Names & identifiers
- Preferred name
- Cyclohexyl phenyl ketone
- IUPAC
- cyclohexyl(phenyl)methanone
- English name
- Benzoylcyclohexane
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
Cyclohexyl phenyl ketone712-50-5CyclohexylphenylketoneMethanone, cyclohexylphenyl-DTXSID50481820NU53987V8NSC-818DTXCID1028156RefChem:580880211-923-5Cyclohexyl(phenyl)methanoneBenzoylcyclohexane
Show more names
usafkf-3BenzoylcyclohexanTIMTEC-BB SBB007832PHENYLCYCLOHEXYL KETONEketone,cyclohexylphenylCyclohexyl Phenyll Ketone
Benzoyl cyclohexanePhenyl cyclohexyl ketoneCyclohexyl-phenyl-methanoneUSAF KF-3cyclohexylphenylmethanoneMFCD00001467KETONE, CYCLOHEXYL PHENYLBRN 2046712
Database identifiers
- CAS
712-50-5- PubChem CID
- 12837
- DTXSID
DTXSID5048182- ChEMBL
CHEMBL3188506- UNII
- 0NU53987V8
- EC Number
- 211-923-5
- Nikkaji
- J1.727B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 55 · 55-57 °C (lit.)
- Boiling point
- 165 · 165-168°C 20mm
- Density
- 0.9671 · 0.9671 (rough estimate)
- refractive index
- 1.5435 · 1.5435 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Light Brown to Brown
- Water Solubility
- 18.2 mg/L · 18.2mg/L at 20℃
- BRN
- 2046712 · 2046712
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
H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: Cyclohexyl phenyl ketone (EC: 211-923-5)
Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (99.2%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OB1760000
- hs_code
- 29143900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, cyclohexylphenyl-: ACTIVE
Applications
UsesCyclohexyl phenyl ketone was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.
Upstream & downstream products
Upstream raw materials
Related reactions
22 records
Compound notes
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