Ethanone, 1-(4-methylcyclohexyl)-
Basic information
- CAS
1879-06-7- Standard SMILES
CC(=O)C1CCC(C)CC1- InChIKey
HTAYNGUDHFAFFQ-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- Ethanone, 1-(4-methylcyclohexyl)-
- IUPAC
- 1-(4-methylcyclohexyl)ethanone
- English name
- 1-(4-methylcyclohexyl)ethanone
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
1879-06-7Ethanone, 1-(4-methylcyclohexyl)-DTXSID80172113NSC 405256RefChem:138359DTXCID50946041-(4-methylcyclohexyl)ethanone1-(4-methylcyclohexyl)ethan-1-one18446-90-7Ketone, methyl 4-methylcyclohexyl1-(trans--4-Methylcyclohexyl)-ethanone4-Methylcyclohexyl methyl ketone
Show more names
1-Acetyl-4-methylcyclohexane
starbld0000509Rel-1-((1r,4r)-4-methylcyclohexyl)ethan-1-oneSCHEMBL64016SCHEMBL524914SCHEMBL1690524SCHEMBL14942466SCHEMBL27319194HTAYNGUDHFAFFQ-XWEPSHTISA-N
Database identifiers
- CAS
1879-06-7- PubChem CID
- 137246
- DTXSID
DTXSID80172113- EC Number
- 897-921-0
- Nikkaji
- J80.336G
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
- 121
Physicochemical properties
- Boiling point
- 196 °C · 196°C (estimate)
- Density
- 0.9055 · 0.9055
- refractive index
- 1.4509 · 1.4509
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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