Basic information
- CAS
4468-42-2- Standard SMILES
CCCC(CC)c1ccccc1- InChIKey
SLVCCWGFGQVDMN-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 3-Phenylhexane
- IUPAC
- hexan-3-ylbenzene
- English name
- (1-Ethylbutyl)benzene.
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
3-Phenylhexanehexan-3-ylbenzeneBenzene, (1-ethylbutyl)-Hexane, 3-phenyl-(1-ETHYLBUTYL)BENZENEDTXSID40414921-(HEXAN-3-YL)BENZENEKIQ0N3DUG5(3-Hexyl)benzeneDTXCID2021492RefChem:198395SLVCCWGFGQVDMN-UHFFFAOYSA-N
Show more names
(1-Ethylbutyl)benzene.
4468-42-2(ethylbutyl)benzene(hexan-3-yl)benzene3-(3-Hexyl)phenolUNII-KIQ0N3DUG5(1-Ethylbutyl)benzene #SCHEMBL233437SCHEMBL233438
Database identifiers
- CAS
4468-42-2- PubChem CID
- 20546
- DTXSID
DTXSID4041492- ChEMBL
CHEMBL3182272- UNII
- KIQ0N3DUG5
- Nikkaji
- J114.122H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- -55.4 °C · -55.4°C
- Boiling point
- 209 °C · 209°C
- Density
- 0.8239 · 0.8239
- refractive index
- 1.4859 · 1.4859
- FDA UNII
- 0 N3DUG5 · KIQ0N3DUG5
- EPA Substance Registry System
- 3 · 3-Phenylhexane (4468-42-2)
Chemistry & industry
Suppliers1 total
重庆福腾医药有限公司18696571988 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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