Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester
• CAS No.: 84236-44-2
• Deprecated CAS: 100545-63-9
• Molecular Formula: C26H36 O3
• Molecular Weight: 396.56224
• European Community (EC) Number: 282-476-1
• DSSTox Substance ID: DTXSID90276116,DTXSID101004490
• Nikkaji Number: J1.598.249G
• Mol file: 84236-44-2.mol

Synonyms:Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester;100545-63-9;84236-44-2;[4-(2-methylbutyl)phenyl] 4-octoxybenzoate;EINECS 282-476-1;SCHEMBL20594605;DTXSID90276116;DTXSID101004490;FT-0771340;4-(2-Methylbutyl)phenyl (1)-4-octyloxybenzoate;4-(2-METHYLBUTYL)PHENYL 4-(OCTYLOXY)BENZOATE;4-(Octyloxy)benzoic acid 4-(2-methylbutyl)phenyl ester

Chemical Property of Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester

Chemical Property:

• PSA: 35.53000
• LogP: 7.23370
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 396.26644501
• Heavy Atom Count: 29
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC