Basic information
- CAS
28122-24-9- Standard SMILES
CCc1cccc(Cc2ccccc2)c1- InChIKey
DITPGLQNHCMPAK-UHFFFAOYSA-N- Molecular formula
- C15H16
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.12520051
Names & identifiers
- Preferred name
- 1-Benzyl-3-ethylbenzene
- IUPAC
- 1-benzyl-3-ethylbenzene
- English name
- 1-Ethyl-3-benzylbenzene
- Molecular formula
- C15H16
- Molecular weight
- 196.29
Names & synonyms
1-Benzyl-3-ethylbenzene3-Ethyldiphenylmethane28122-24-9Benzene, 1-ethyl-3-(phenylmethyl)-1-Ethyl-3-benzylbenzeneETHYL(PHENYLMETHYL)BENZENE(3-ethylphenyl)phenylmethaneSCHEMBL5538533SCHEMBL7460513SCHEMBL7929099SCHEMBL8089580SCHEMBL10387339
Show more names
1-Ethyl-3-(phenylmethyl)benzene
DTXSID709508611-ethyl-3-(phenylmethyl)-benzene42504-54-1
Database identifiers
- CAS
28122-24-9、42504-54-1- PubChem CID
- 39218
- DTXSID
DTXSID70950861- Nikkaji
- J116.807J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -9.2 °C · -9.2°C
- Boiling point
- 291.54 °C · 291.54°C
- Density
- 0.976 · 0.9760 (estimate)
- refractive index
- 1.5611 · 1.5611
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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