Basic information
- CAS
5789-31-1- Standard SMILES
CCC(c1ccccc1)C(CC)c1ccccc1- InChIKey
JTJWVUQPSOFEPZ-UHFFFAOYSA-N- Molecular formula
- C18H22
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.1721507
Names & identifiers
- Preferred name
- Benzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.
- IUPAC
- 4-phenylhexan-3-ylbenzene
- English name
- (1-ethyl-2-phenylbutyl)benzene
- Molecular formula
- C18H22
- Molecular weight
- 238.37
Names & synonyms
68398-19-6Diethyl diphenylethaneRefChem:562722DTXSID80894500EINECS 269-971-8Benzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.Hexane, 3,4-diphenyl-3,4-diphenylhexane(1-Ethyl-2-phenylbutyl)benzene5789-31-11,1'-hexane-3,4-diyldibenzene4-phenylhexan-3-ylbenzene
Show more names
Benzene, 1,1'-(1,2-diethyl-1,2-ethanediyl)bis-
SCHEMBL4071581SCHEMBL11478651DTXSID90880813(1-Ethyl-2-phenylbutyl)benzene #ALBB-0357751,1'-(Hexane-3,4-diyl)dibenzeneAKOS040766847NS00095921
Database identifiers
- CAS
5789-31-1、68398-19-6- PubChem CID
- 521817
- DTXSID
DTXSID90880813- EC Number
- 269-971-8
- Nikkaji
- J681.439E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 292 · 292-302 °C
- Density
- 1.089 g/cm3 · 1.089 g/cm3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.: ACTIVE
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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