Basic information
- CAS
70116-35-7- Standard SMILES
CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CC(C)CC)cc3)cc2)cc1- InChIKey
YNJUMESZHDXQSZ-UHFFFAOYSA-N- Molecular formula
- C32H40O2
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.30283051
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-octyl-, 4-(2-methylbutyl)phenyl ester
- IUPAC
- [4-(2-methylbutyl)phenyl] 4-(4-octylphenyl)benzoate
Names & synonyms
[1,1'-Biphenyl]-4-carboxylic acid, 4'-octyl-, 4-(2-methylbutyl)phenyl ester93798-26-6EINECS 274-320-6SCHEMBL5065172DTXSID60888725YNJUMESZHDXQSZ-UHFFFAOYSA-N70116-35-74-(2-methylbutyl)phenyl 4-n-octylbiphenyl-4'-carboxylate4-(2-Methylbutyl)phenyl 4'-octyl[1,1'-biphenyl]-4-carboxylate(S)-4-(2-Methylbutyl)phenyl 4'-octyl(1,1'-biphenyl)-4-carboxylate8SI
Database identifiers
- CAS
70116-35-7、93798-26-6- PubChem CID
- 112191
- DTXSID
DTXSID60888725- EC Number
- 274-320-6
- Nikkaji
- J683.815D
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 533
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
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
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
[1,1'-Biphenyl]-4-carboxylic acid, 4'-octyl-, 4-[(2S)-2-methylbutyl]phenyl ester: INACTIVE
[1,1'-Biphenyl]-4-carboxylic acid, 4'-octyl-, 4-(2-methylbutyl)phenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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