Basic information
- CAS
56025-96-8- Standard SMILES
O=C1CCC(C2CCCCC2)CC1- InChIKey
JLYNSPSTPQAEAX-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- (1,1'-Bicyclohexyl)-4-one
- IUPAC
- 4-cyclohexylcyclohexan-1-one
- English name
- 4-CYCLOHEXYLCYCLOHEXANONE
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
4-Cyclohexylcyclohexanone92-68-2[1,1'-Bicyclohexyl]-4-one(1,1'-Bicyclohexyl)-4-oneDTXSID80407216SLH0OPI94NSC-22250NSC-33962DTXCID6020721RefChem:1049168202-178-7[1,1'-Bi(cyclohexan)]-4-one
Show more names
C-664-CYCLOHEXYLCYCLOHEXANON[1,1-Bi(cyclohexan)]-4-one
4-cyclohexylcyclohexan-1-oneC 664-cyclohexyl cyclohexanoneCYCLOHEXYLCYCLOHEXANONE56025-96-8(1,1'-Bicyclohexyl)onebicyclohexyl-4-oneEINECS 202-178-7
Database identifiers
- CAS
56025-96-8、92-68-2- PubChem CID
- 41690
- DTXSID
DTXSID8040721- ChEMBL
CHEMBL1866959- UNII
- 6SLH0OPI94
- EC Number
- 202-178-7、259-950-1
- Nikkaji
- J99.554A
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 170
Physicochemical properties
- Melting point
- 29.2 °C · 29.2 °C
- Boiling point
- 70 · 70-72 °C(Press: 0.1 Torr)
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Odor
- 100 % · at 100.00 %. floral orris cyclamen woody ozone fresh
- Odor Type
- floral
- LogP
- 3.328 · 3.328 (est)
- FDA UNII
- 6 SLH0OPI94 · 6SLH0OPI94
- EPA Substance Registry System
- 1 · [1,1'-Bicyclohexyl]-4-one (92-68-2)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: [1,1'-Bicyclohexyl]-4-one
Chemical: [1,1'-Bicyclohexyl]one
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
[1,1'-Bicyclohexyl]-4-one: INACTIVE
[1,1'-Bicyclohexyl]one: INACTIVE
Upstream & downstream products
Downstream products
Suppliers14 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
南京康满林化工实业有限公司025-83453353 · [email protected]
南京康满林化工实业有限公司025-83697070 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
15 records
Compound notes
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