4-(Hexyloxy)phenyl (S)-4'-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylate

Base Information

• Chemical Name: 4-(Hexyloxy)phenyl (S)-4'-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylate
• CAS No.: 62614-61-3
• Molecular Formula: C30H36O3
• Molecular Weight: 444.605
• European Community (EC) Number: 263-642-2
• DSSTox Substance ID: DTXSID90211663
• Wikidata: Q83086624
• Mol file: 62614-61-3.mol

Synonyms:EINECS 263-642-2;62614-61-3;4-(Hexyloxy)phenyl (S)-4'-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylate;4-(Hexyloxy)phenyl (S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate;DTXSID90211663;C30H36O3;4-(Hexyloxy)phenyl(S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate

Chemical Property of 4-(Hexyloxy)phenyl (S)-4'-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylate

Chemical Property:

• Boiling Point: 565.1°Cat760mmHg
• Flash Point: 160.6°C
• PSA: 35.53000
• Density: 1.035g/cm³
• LogP: 8.27790
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 444.26644501
• Heavy Atom Count: 33
• Complexity: 533

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)CC(C)CC)C3=CC=CC=C3
• Isomeric SMILES: CCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)C[C@@H](C)CC)C3=CC=CC=C3

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