Benzoic acid, 3-(octyloxy)-

Base Information

Chemical Name:Benzoic acid, 3-(octyloxy)-
CAS No.:79785-45-8
Molecular Formula:C15H22O3
Molecular Weight:250.338
Hs Code.:
DSSTox Substance ID:DTXSID60442164
Nikkaji Number:J1.463.367G

Synonyms:3-octoxybenzoic Acid;3-Octyloxybenzoic acid;79785-45-8;Benzoic acid, 3-(octyloxy)-;3-(OCTYLOXY)BENZOIC ACID;SCHEMBL8081150;DTXSID60442164;A1-05343

Suppliers and Price of Benzoic acid, 3-(octyloxy)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Benzoic acid, 3-(octyloxy)-

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:250.15689456
Heavy Atom Count:18
Complexity:228

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC1=CC=CC(=C1)C(=O)O

Technology Process of Benzoic acid, 3-(octyloxy)-

There total 7 articles about Benzoic acid, 3-(octyloxy)- 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: 95.0%

: methyl 3-(octyloxy)benzoate

: 79785-45-8
3-(octyloxy)benzoic acid

Guidance literature:: With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 12h;
DOI:10.1002/cmdc.201600342

Reference yield: 94.0%

: 251640-52-5
n-butyl 3-n-octoxybenzoate

: 79785-45-8
3-(octyloxy)benzoic acid

Guidance literature:: With potassium hydroxide; In ethanol; at 20 ℃; for 10h;
DOI:10.1021/jo9911138

Reference yield:

: 77201-17-3
n-butyl 3-hydroxybenzoate

: 79785-45-8
3-(octyloxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / K₂CO₃ / acetone / 12 h / Heating

2: 94 percent / KOH / ethanol / 10 h / 20 °C

With potassium hydroxide; potassium carbonate; In ethanol; acetone; 1: Etherification / 2: Hydrolysis;
DOI:10.1021/jo9911138