3-Pentadecylcatechol

Base Information

Chemical Name:3-Pentadecylcatechol
CAS No.:492-89-7
Molecular Formula:C21H36 O2
Molecular Weight:320.516
Hs Code.:
NSC Number:403211
UNII:51M8X101ML
DSSTox Substance ID:DTXSID70197714
Nikkaji Number:J6.062C
Wikidata:Q27104847
Metabolomics Workbench ID:52623
ChEMBL ID:CHEMBL8087
Mol file:492-89-7.mol

Synonyms:3-n-pentadecylcatechol;3-PDC;3-pentadecacatechol;3-pentadecylpyrocatechol;hydrourushiol

Suppliers and Price of 3-Pentadecylcatechol

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

American Custom Chemicals Corporation
3-PENTADECYLCATECHOL 95.00%
5MG
$ 501.48

Total 8 raw suppliers

Chemical Property of 3-Pentadecylcatechol

Chemical Property:

Vapor Pressure:1.49E-08mmHg at 25°C
Melting Point:59.5°C
Refractive Index:1.5100 (estimate)
Boiling Point:445.6°Cat760mmHg
PKA:9.89±0.10(Predicted)
Flash Point:191.7°C
PSA：40.46000
Density:0.96g/cm³
LogP:6.73150
XLogP3:9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:320.271530387
Heavy Atom Count:23
Complexity:254

Purity/Quality:

99% ^*data from raw suppliers

3-PENTADECYLCATECHOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O
Description Pentadecykatechol is the main allergen of the Anacardiaceae poison ivy (Toxicodendron radicans) and of poison oak (Toxicodendron diversiloba, Rhus diversiloba).
Uses 3-Pentadecylcatechol is an urushiol derivative that displays anti-Helicobacter pylori activity in vivo. Found in the sap of the lacquer tree (Rhus verniciflua Stokes).

Technology Process of 3-Pentadecylcatechol

There total 33 articles about 3-Pentadecylcatechol 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: 86.0%

: 102542-25-6
1-(2,5-dimethoxy-tetrahydro-furan-2-yl)-heptadecan-1-one

: 492-89-7
3-pentadecylcatechol

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; for 10h; Heating;
DOI:10.1055/s-1990-26889

Reference yield: 80.3%

: 7461-75-8
1,2-dimethoxy-3-pentadecyl-benzene

: 492-89-7
3-pentadecylcatechol

Guidance literature:: With boron tribromide; In hexane; dichloromethane; at 0 - 20 ℃; for 14h;
DOI:10.1016/j.freeradbiomed.2014.03.041

Reference yield: 62.0%

: [(10Z)-pentadec-10′-en-1-yl]catechol

: 492-89-7
3-pentadecylcatechol

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 4h; under 1500.15 Torr;
DOI:10.1016/j.phytochem.2020.112359