4-(2-Methylbutyl)phenyl (S)-4-propylbenzoate

Base Information

• Chemical Name: 4-(2-Methylbutyl)phenyl (S)-4-propylbenzoate
• CAS No.: 94442-17-8
• Molecular Formula: C21H26 O2
• Molecular Weight: 311.43788
• European Community (EC) Number: 305-343-2
• UNII: VJX826QN15
• DSSTox Substance ID: DTXSID20888741
• Nikkaji Number: J382.816F
• Wikidata: Q27291860
• Mol file: 94442-17-8.mol

Synonyms:94442-17-8;4-(2-Methylbutyl)phenyl (S)-4-propylbenzoate;UNII-VJX826QN15;Methylbutylphenyl propylbenzoate, (2S)-;VJX826QN15;[4-[(2S)-2-methylbutyl]phenyl] 4-propylbenzoate;EINECS 305-343-2;Benzoic acid, 4-propyl-, 4-((2S)-2-methylbutyl)phenyl ester;Benzoic acid, 4-propyl-, 4-[(2S)-2-methylbutyl]phenyl ester;Benzoic acid, 4-propyl-, 4-(2-methylbutyl)phenyl ester, (S)-;CE9;DTXSID20888741;(2S)-methylbutylphenyl propylbenzoate;METHYLBUTYLPHENYL PROPYLBENZOATE;METHYLBUTYLPHENYL PROPYLBENZOATE [INCI];Q27291860;4-Propylbenzoic acid 4-[(S)-2-methylbutyl]phenyl ester

Chemical Property of 4-(2-Methylbutyl)phenyl (S)-4-propylbenzoate

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Boiling Point: 429.1°Cat760mmHg
• Flash Point: 181.4°C
• PSA: 26.30000
• Density: 1.018g/cm³
• LogP: 5.44690
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 310.193280068
• Heavy Atom Count: 23
• Complexity: 336

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC
• Isomeric SMILES: CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C[C@@H](C)CC