2-Benzylidenecyclohexanone
Basic information
- CAS
5682-83-7- Standard SMILES
O=C1CCCCC1=Cc1ccccc1- InChIKey
VCDPHYIZVFJQCD-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 2-Benzylidenecyclohexanone
- IUPAC
- 2-benzylidenecyclohexan-1-one
- English name
- 2-Benzylidenecyclohexanone
- Molecular formula
- C13H14O
- Molecular weight
- 186.25
Names & synonyms
2-Benzylidenecyclohexanone5682-83-7DTXSID901311350RefChem:1062404DTXCID4017411662-Benzylidenecyclohexan-1-one2-(phenylmethylene)cyclohexanonebenzylidenecyclohexanone2-benzylidene-cyclohexanoneSCHEMBL979655SCHEMBL275037692-phenylmethylenecyclohexan-1-one
Show more names
2-BENZALCYCLOHEXANONEBenzylidencyclohexanone2-BENZYLIDEN-CYCLOHEXANONE2-BENZYLIDENYLCYCLOHEXANONE2-Benzylidenecyclohexanone 98%(Z)-2-benzylidenecyclohexanone(E)-2-BENZYLIDENECYCLOHEXANONE2-Benzylidenecyclohexanone >
AKOS0302291532-[1-Phenyl-methylidene]-cyclohexanoneDB-020558NS00046843F568513Benzylidencyclohexanone;2-benzylidenecyclohexan-1-one
Database identifiers
- CAS
5682-83-7- PubChem CID
- 98926
- DTXSID
DTXSID901311350- EC Number
- 227-144-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 53 · 53-55°C
- Boiling point
- 180 · 180-184°C 14mm
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- Flash point
- 180 · 180-184°C/14mm
- form
- powder to crystal
- color
- Light yellow to Brown
- BRN
- 638548 · 638548
- CAS DataBase Reference
- 5682 · 5682-83-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2914290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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