Basic information
- CAS
90-42-6- Standard SMILES
O=C1CCCCC1C1CCCCC1- InChIKey
UOBQDYFTAJKQAL-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Overview
structure
Names & identifiers
- Preferred name
- 2-Cyclohexylcyclohexanone
- IUPAC
- 2-cyclohexylcyclohexan-1-one
- English name
- 2-Cyclohexylcyclohexanone
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
2-Cyclohexylcyclohexanone90-42-6Lavamenthe2-Cyclohexyl cyclohexanoneBicyclohexanone[1,1'-Bicyclohexyl]-2-oneCyclohexanone, 2-cyclohexyl-1,1'-Bi(cyclohexyl)-2-oneDTXSID8047424(1,1'-BICYCLOHEXYL)-2-ONEB3QU3533W8NSC-22249
Show more names
DTXCID6027424RefChem:86624201-991-42-cyclohexylcyclohexan-1-one[1,1'-bi(cyclohexane)]-2-oneMFCD00013795HSDB 5271EINECS 201-991-4
Database identifiers
- CAS
90-42-6- PubChem CID
- 7016
- DTXSID
DTXSID8047424- ChEMBL
CHEMBL3183461- UNII
- B3QU3533W8
- EC Number
- 201-991-4
- Nikkaji
- J41.835H
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 180
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
FragrancesFragrance Ingredient (2-Cyclohexylcyclohexanone) -> IFRA transparency List
Physical DescriptionLiquid; [MSDSonline]
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 (100%): 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 259 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: [1,1'-Bicyclohexyl]-2-one
[1,1'-Bicyclohexyl]-2-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryCauses abnormal liver function test results in 60 day rat feeding experiments; Ataxia and weakness in inhalation studies: TCLo (rat) = 2928.7 mg/m3; [RTECS] May cause irritation; [MSDSonline]
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Uses & manufacturing
Uses
Used as a fragrance; [HSDB]
USED AS A FRAGRANCE
Use ClassificationFragrance Ingredients
General Manufacturing Information[1,1'-Bicyclohexyl]-2-one: ACTIVE
Suppliers43 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
Related reactions
3 records
Compound notes
Loading…