Cyclohexanone, 2-(2-ethylhexylidene)-
Basic information
- CAS
6628-38-2- Standard SMILES
CCC1CCCCC1C1CCCCC1=O- InChIKey
RUXWHMLYFYGVQV-UHFFFAOYSA-N- Molecular formula
- C14H24O
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.18271539
Names & identifiers
- Preferred name
- Cyclohexanone, 2-(2-ethylhexylidene)-
- IUPAC
- 2-(2-ethylcyclohexyl)cyclohexan-1-one
- English name
- (Z)-2-(2-ethylhexylidene)cyclohexanone
- Molecular formula
- C14H24O
- Molecular weight
- 208.34
Names & synonyms
Cyclohexanone, 2-(2-ethylhexylidene)-NSC 60587RefChem:3355606628-38-2AKOS013175021Cyclohexanone, 2-(2-ethylhexylidene)-,2-(2-ETHYLHEXYLIDENE)-1-CYCLOHEXANONE(Z)-2-(2-ethylhexylidene)cyclohexanone
Database identifiers
- CAS
6628-38-2- PubChem CID
- 138792
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 307.2 · 307.2±12.0 °C(Predicted)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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