4-Hexylcyclohexanone
Basic information
- CAS
5441-57-6- Standard SMILES
CCCCCCC1CCC(=O)CC1- InChIKey
QQBCXOPRVOCINO-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 4-Hexylcyclohexanone
- IUPAC
- 4-hexylcyclohexan-1-one
- English name
- 4-hexylcyclohexan-1-one
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
4-hexylcyclohexanone4-hexylcyclohexan-1-one5441-57-6MFCD26030848NSC21170SCHEMBL6736225DTXSID60281292QQBCXOPRVOCINO-UHFFFAOYSA-NNSC-21170AKOS021584219AS-58006DA-05035
Show more names
Cyclohexanone, 4-hexyl-
CS-0061493W17270
Database identifiers
- CAS
5441-57-6- PubChem CID
- 228340
- DTXSID
DTXSID60281292
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 115 · 115-118 °C(Press: 5-6 Torr)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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