Basic information
- CAS
6031-02-3- Standard SMILES
CCCCC(C)c1ccccc1- InChIKey
CYBSWFUWEZFKNJ-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 2-Phenylhexane
- IUPAC
- hexan-2-ylbenzene
- English name
- Benzene, (1-methylpentyl)-
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
2-PHENYLHEXANEBenzene, (1-methylpentyl)-Hexane, 2-phenyl-(1-Methylpentyl)benzene8I5F5V031EUNII-8I5F5V031EDTXSID90414472phenylhexaneRefChem:89085DTXCID70214472-PHENYLHEXANE, (+-)-CYBSWFUWEZFKNJ-UHFFFAOYSA-N
Show more names
hexan-2-ylbenzene6031-02-3(Hexan-2-yl)benzene(1-Methylpentyl)benzene #SCHEMBL190051SCHEMBL445672SCHEMBL536902SCHEMBL815743
Database identifiers
- CAS
6031-02-3- PubChem CID
- 22385
- DTXSID
DTXSID9041447- UNII
- 8I5F5V031E
- Nikkaji
- J113.055B
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
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
Physicochemical properties
- Melting point
- -25.43 °C · -25.43°C (estimate)
- Boiling point
- 208 °C · 208°C
- Density
- 0.869 · 0.8690
- refractive index
- 1.492 · 1.4920
- FDA UNII
- 8 I5F5V031E · 8I5F5V031E
- EPA Substance Registry System
- 2 · 2-Phenylhexane (6031-02-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Undecylbenzene.
Chemistry & industry
Suppliers4 total
常州宣叶科技有限公司15195022192 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
四川义研药物研究有限公司19949968070; 19949968070 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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