2-Octyldodecyl benzoate

Base Information

• Chemical Name: 2-Octyldodecyl benzoate
• CAS No.: 108347-89-3
• Deprecated CAS: 214680-48-5
• Molecular Formula: C27H46O2
• UNII: R04N7AS5EA
• DSSTox Substance ID: DTXSID00275832,DTXSID40888829
• Nikkaji Number: J1.555.894F
• Wikidata: Q27287592
• Mol file: 108347-89-3.mol

Synonyms:2-octyldodecyl benzoate;Octyldodecyl Benzoate;1-Dodecanol, 2-octyl-, benzoate;108347-89-3;1-Dodecanol, 2-octyl-, 1-benzoate;UNII-R04N7AS5EA;R04N7AS5EA;214680-48-5;FINSOLV BOD;OCTODODECYL BENZOATE;2-Octyl-1-dodecanol benzoate;SCHEMBL420818;DTXSID00275832;DTXSID40888829;OCTYLDODECYL BENZOATE [INCI];Q27287592

Chemical Property of 2-Octyldodecyl benzoate

Chemical Property:

• Vapor Pressure: 1.14E-09mmHg at 25°C
• XLogP3: 11.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 402.349780706
• Heavy Atom Count: 29
• Complexity: 360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC(CCCCCCCC)COC(=O)C1=CC=CC=C1

Technology Process of 2-Octyldodecyl benzoate

There total 1 articles about 2-Octyldodecyl benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

C19H40O + benzoic acid (65-85-0,8013-63-6) → 2-octyldodecyl benzoate (1612874-95-9,108347-89-3)

Guidance literature:

benzoic acid; With (E)-ethyl 2-cyano-2-(2-nitrophenylsulfonyloxyimino)acetate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 25 ℃;

C₁₉H₄₀O; In dichloromethane; at 25 ℃; for 3.15h;

DOI:10.1021/jo500292m

upstream raw materials:

benzoic acid

Refernces