(S)-1-Phenylethane-1,2-diyl bis(4-(trans-4-pentylcyclohexyl)benzoate)

Base Information

• Chemical Name: (S)-1-Phenylethane-1,2-diyl bis(4-(trans-4-pentylcyclohexyl)benzoate)
• CAS No.: 165660-09-3
• Molecular Formula: C44H58 O4
• Molecular Weight: 650.92892
• European Community (EC) Number: 605-415-6
• DSSTox Substance ID: DTXSID901138693
• Nikkaji Number: J1.955.867C,J3.278.796G
• Mol file: 165660-09-3.mol

Synonyms:165660-09-3;(S)-1-Phenylethane-1,2-diyl bis(4-(trans-4-pentylcyclohexyl)benzoate);[(2S)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate;Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 1,1'-[(1S)-1-phenyl-1,2-ethanediyl] ester;SCHEMBL9191608;SCHEMBL9191614;KTIVHFRVDVVCHK-YAQCXNTLSA-N;DTXSID901138693;Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, (1S)-1-phenyl-1,2-ethanediyl ester;Bis[4-(4-pentylcyclohexyl)benzoic acid](S)-1-phenylethylene ester;1,1'-[(1S)-1-Phenyl-1,2-ethanediyl] bis[4-(trans-4-pentylcyclohexyl)benzoate];Benzoic acid,4-(trans-4-pentylcyclohexyl)-,(1S)-1-phenyl-1,2-ethanediyl ester;Bis[4-(4beta-pentylcyclohexane-1alpha-yl)benzoic acid](S)-2-phenyl-1,2-ethanediyl ester

Chemical Property of (S)-1-Phenylethane-1,2-diyl bis(4-(trans-4-pentylcyclohexyl)benzoate)

Chemical Property:

• Boiling Point: 736.3±60.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.042±0.06 g/cm3(Predicted)
• LogP: 12.14990
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 650.43351033
• Heavy Atom Count: 48
• Complexity: 893

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-1-Phenylethane-1,2-diylbis(4-(trans-4-pentylcyclohexyl)benzoate) 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OCC(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC
• Isomeric SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC[C@H](C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC