Basic information
- CAS
3580-38-9- Standard SMILES
O=C1CCCCC1C(=O)c1ccccc1- InChIKey
YTVQIZRDLKWECQ-UHFFFAOYSA-N- Molecular formula
- C13H14O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.09937969
Names & identifiers
- Preferred name
- 2-Benzoylcyclohexanone
- IUPAC
- 2-benzoylcyclohexan-1-one
- English name
- 2-BENZOYLCYCLOHEXANONE
- Molecular formula
- C13H14O2
- Molecular weight
- 202.25
Names & synonyms
2-Benzoylcyclohexanone3580-38-9DTXSID70298331RefChem:1062381DTXCID102494682-benzoylcyclohexan-1-one2-Benzoyl-cyclohexanoneMFCD00524769MLS000779835SMR000420027Cyclohexanone, 2-benzoyl-2-benzoyl-1-cyclohexanone
Show more names
Benzoylcyclohexanone2-Benzoylcyclohexanenone2-Benzoylcyclohexanone 98%2-(Benzoyl)cyclohexan-1-one(R,S)-2-Benzoyl-cyclohexanone2-Benzoyl-cyclohexanone, 95+%
NSC1225812-Benzoylcyclohexanone #Maybridge4_0032842-benzoyl-cyclohexan-1-one2-oxocyclohexyl phenyl ketone2-Benzoylcyclohexanone, 98%SCHEMBL6000722-(phenylcarbonyl)cyclohexanone
Database identifiers
- CAS
3580-38-9- PubChem CID
- 275627
- DTXSID
DTXSID70298331- ChEMBL
CHEMBL1530511- EC Number
- 609-179-5
- Nikkaji
- J426.376F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 88 · 88-91 °C (lit.)
- Boiling point
- 160 · 160-166 °C(Press: 1 Torr)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 9.86 · 9.86±0.20(Predicted)
- InChI
- 1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
- InChIKey
- YTVQIZRDLKWECQ-UHFFFAOYSA-N
- SMILES
- O=C1CCCCC1C(=O)c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses2-Benzoylcyclohexanone can be prepared from the reaction between silyl enol ether of cyclohexanone and benzoyl fluoride.
General Description2-Benzoylcyclohexanone can be prepared from the reaction between silyl enol ether of cyclohexanone and benzoyl fluoride.
Upstream & downstream products
Downstream products
Suppliers23 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
406 records
Compound notes
Loading…