Basic information
- CAS
17040-65-2- Standard SMILES
O=C(C1=CCCCC1)c1ccccc1- InChIKey
GFXUKSMUKHKIGP-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 1-Cyclohexenyl phenyl ketone
- IUPAC
- cyclohexen-1-yl(phenyl)methanone
- English name
- 1-cyclohexenyl-phenyl-methanone
- Molecular formula
- C13H14O
- Molecular weight
- 186.25
Names & synonyms
1-Cyclohexenyl phenyl ketone17040-65-2Methanone, 1-cyclohexen-1-ylphenyl-Ketone, 1-cyclohexen-1-yl phenylDTXSID40290221RefChem:75484DTXCID70241367GFXUKSMUKHKIGP-UHFFFAOYSA-NMethanone,1-cyclohexen-1-ylphenyl-Cyclohex-1-en-1-yl(phenyl)methanonecyclohexen-1-yl(phenyl)methanone(cyclohex-1-en-1-yl)(phenyl)methanone
Show more names
Diphenhydramine Impurity 311-Cyclohexen-1-ylphenylmethanoneCyclohex-1-enyl-phenyl-methanone
1-CYCLOHEXENYL-PHENYL-METHANONEbenzoylcyclohexene1-Cyclohexen-1-ylphenylmethanone; 1-Benzoylcyclohex-1-ene; 1-Benzoylcyclohexene;starbld00138652-benzoylcyclohex-1-eneNCIOpen2_000080Cyclohex-1-enylphenyl ketoneSCHEMBL810175
Database identifiers
- CAS
17040-65-2- PubChem CID
- 249291
- DTXSID
DTXSID40290221- Nikkaji
- J1.535.268J、J398.124J
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 234
Physicochemical properties
- Melting point
- 31 · 31-32 °C
- Boiling point
- 154 · 154-157 °C(Press: 5.5 Torr)
- Density
- 1.095 g/cm3 · 1.0950 g/cm3(Temp: 25 °C)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 331 · H331-H302-H318-H360-H371-H370-H372-H373-H317-H341-H350-H226
- Precautionary statements
- 501 · P501-P272-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P403+P235-P405
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08,GHS02
- Hazard statements
- H331-H302-H318-H360-H371-H370-H372-H373-H317-H341-H350-H226
- Precautionary statements
- P501-P272-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P403+P235-P405
Chemistry & industry
Applications
Uses1-Cyclohexenyl phenyl ketone is a useful reactant for the synthesis of cyclopentanone enol ethers.
Suppliers4 total
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…