Benzene, (hexyloxy)-
Basic information
- CAS
1132-66-7- Standard SMILES
CCCCCCOc1ccccc1- InChIKey
KNRQFACTBMDELK-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Benzene, (hexyloxy)-
- IUPAC
- hexoxybenzene
- English name
- hexyl phenyl ether
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
Benzene, (hexyloxy)-1132-66-7DTXSID80333762RefChem:1078212DTXCID90284852hexoxybenzene(Hexyloxy)benzeneHexyl phenyl etherEther, hexyl phenylhexyloxybenzeneHEXYLPHENYL ETHERHexaoxybenzol
Show more names
Phenylhexyl ether
(hexyloxy)-benzenen-Hexyl phenyl etherSCHEMBL94687SCHEMBL217931SCHEMBL243437SCHEMBL329237SCHEMBL533346SCHEMBL650880
Database identifiers
- CAS
1132-66-7- PubChem CID
- 517985
- DTXSID
DTXSID80333762- ChEMBL
CHEMBL3752309- Nikkaji
- J102.614C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -19 °C · -19°C
- Boiling point
- 240 °C · 240°C (estimate)
- Density
- 0.9174 · 0.9174
- refractive index
- 1.4921 · 1.4921 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
3 records
Compound notes
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