1-Cyclohexylidenepropan-2-one
Basic information
- CAS
874-68-0- Standard SMILES
CC(=O)C=C1CCCCC1- InChIKey
KVSOBMXTKPYCSG-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 1-Cyclohexylidenepropan-2-one
- IUPAC
- 1-cyclohexylidenepropan-2-one
- English name
- Methyl(cyclohexylidenemethyl) ketone
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
1-cyclohexylidenepropan-2-one874-68-0Cyclohexylideneacetone2-Propanone, 1-cyclohexylidene-MFCD004621811-Cyclohexylidene-2-propanoneCyclohexylidenacetonAI3-262011-Cyclohexylideneacetone #ghl.PD_Mitscher_leg0.7001-cyclohexylidene-propan-2-oneSCHEMBL9690024
Show more names
1-CyclohexylideneacetoneMethyl(cyclohexylidenemethyl) ketone1-cyclohexylidenepropan-2-one(WXC08088)
DTXSID00236327KVSOBMXTKPYCSG-UHFFFAOYSA-NAKOS006271667AS-59954SY149567CS-0047179EN300-128371W15953
Database identifiers
- CAS
874-68-0- PubChem CID
- 13406
- DTXSID
DTXSID00236327- EC Number
- 155-759-1
- Nikkaji
- J119.564F
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 148
Physicochemical properties
- Boiling point
- 83 °C · 83 °C
- Density
- 0.94586 g/cm3 · 0.94586 g/cm3(Temp: 19.5 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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