6-Methylheptyl benzoate

Base Information

• Chemical Name: 6-Methylheptyl benzoate
• CAS No.: 68109-80-8
• Molecular Formula: C15H22O2
• Molecular Weight: 234.338
• European Community (EC) Number: 268-491-6,279-525-4
• DSSTox Substance ID: DTXSID60887152
• Nikkaji Number: J317.320H
• Wikidata: Q82866214
• Mol file: 68109-80-8.mol

Synonyms:6-Methylheptyl benzoate;Isooctyl benzoate;Benzoic acid, isooctyl ester;68109-80-8;80640-85-3;1-Heptanol, 6-methyl-, benzoate;EINECS 279-525-4;1-Heptanol, 6-methyl-, 1-benzoate;EINECS 268-491-6;SCHEMBL3031699;DTXSID60887152;Benzoic acid 6-methylheptyl ester

Chemical Property of 6-Methylheptyl benzoate

Chemical Property:

• Vapor Pressure: 0.000507mmHg at 25°C
• Boiling Point: 313.1°Cat760mmHg
• Flash Point: 132°C
• PSA: 84.01000
• Density: 0.963g/cm³
• LogP: 2.99360
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 205

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCOC(=O)C1=CC=CC=C1

Technology Process of 6-Methylheptyl benzoate

There total 1 articles about 6-Methylheptyl 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:

6-methylheptanol (1653-40-3) + benzoic acid (65-85-0,8013-63-6) → C15H22O2 (68109-80-8)

Guidance literature:

With poly(ethylene glycol) 1000 based dicationic acidic ionic liquid; In toluene; at 80 ℃; for 1.16667h; Ionic liquid;

DOI:10.1016/j.molcata.2013.07.013

upstream raw materials:

6-methylheptanol

benzoic acid

Refernces