Basic information
- CAS
69777-74-8- Standard SMILES
CCC(C)Cc1ccc(OC(=O)c2ccc(-c3ccc(CC(C)CC)cc3)cc2)cc1- InChIKey
RHUXKIANICSJAI-UHFFFAOYSA-N- Molecular formula
- C29H34O2
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 414.25588032
Overview
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Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester
- IUPAC
- [4-(2-methylbutyl)phenyl] 4-[4-(2-methylbutyl)phenyl]benzoate
- English name
- [S-(R*,R*)]-4-(2-methylbutyl)phenyl 4-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate
- Molecular formula
- C29H34O2
- Molecular weight
- 414.58
Names & synonyms
76260-42-9[S-(R*,R*)]-4-(2-Methylbutyl)phenyl 4-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate[1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester(S-(R*,R*))-4-(2-Methylbutyl)phenyl 4-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylateSCHEMBL9513316DTXSID10888513RHUXKIANICSJAI-UHFFFAOYSA-NNS00058249Sr-(r*,r*)]-4-(2-methylbutyl)phenyl4-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate4-(2-METHYLBUTYL) 4-(2-METHYLBUTYL)BIPHENYLCARBOXYLATE4'-[(S)-2-Methylbutyl][1,1'-biphenyl]-4-carboxylic acid 4-[(S)-2-methylbutyl]phenyl ester4'-((2S)-2-Methylbutyl)-[1,1'-biphenyl]-4-carboxylic acid 4-((2S)-2-methylbutyl)phenyl ester
Show more names
[1,1'-Biphenyl]-4-carboxylic acid, 4'-[(2S)-2-methylbutyl]-, 4-[(2S)-2-methylbutyl]phenyl ester
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carboxylic acid, 4'-[(2S)-2-methylbutyl]-, 4-[(2S)-2-methylbutyl]phenyl ester (69777-74-8)
- TSCA
- TSCA listed
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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester: INACTIVE
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
Related reactions
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Compound notes
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