Basic information
- CAS
1004-77-9- Standard SMILES
CC(C)C1CCCCC1=O- InChIKey
SDJUYPUXVFDUFF-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2-Isopropylcyclohexan-1-one
- IUPAC
- 2-propan-2-ylcyclohexan-1-one
- English name
- 2-Isopropylcyclohexanone
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
Cyclohexanone, 2-(1-methylethyl)-2-Isopropylcyclohexan-1-oneEINECS 213-728-0DTXSID80870829NSC 21122NSC 120517RefChem:473924DTXCID50818516213-728-02-Isopropylcyclohexanone1004-77-92-(propan-2-yl)cyclohexan-1-one
Show more names
2-(1-Methylethyl)cyclohexanone
2-propan-2-ylcyclohexan-1-oneCyclohexanone, 2-isopropyl-NSC21122isopropylcyclohexanoneIsopropyl cyclohexanone2-isopropyl-cyclohexanoneSCHEMBL919145SCHEMBL7981400
Database identifiers
- CAS
1004-77-9- PubChem CID
- 70490
- DTXSID
DTXSID80870829- EC Number
- 213-728-0
- Nikkaji
- J113.868E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 72.5 ℃ · 72.5℃
- Boiling point
- 194 · 194-196℃ (760 Torr)
- Density
- 0.922 · 0.9220
- refractive index
- 1.45727 · 1.45727 (589.3 nm 20℃)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H226-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclohexanone, 2-(1-methylethyl)-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H319-H226-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers10 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [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]
HBCChem, Inc.+1-510-219-6317 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
4 records
Compound notes
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