Trethocanic acid

Base Information

• Chemical Name: Trethocanic acid
• CAS No.: 7007-81-0
• Molecular Formula: C₁₅H₃₀O₃
• Molecular Weight: 258.401
• UNII: 8KVN8C4I9P
• DSSTox Substance ID: DTXSID20863977
• Nikkaji Number: J8.874I
• Wikidata: Q27270686
• NCI Thesaurus Code: C152732
• ChEMBL ID: CHEMBL2103894
• Mol file: 7007-81-0.mol

Synonyms:Trethocanic acid;Trethocanoic acid;3-Hydroxy-3,7,11-trimethyldodecanoic acid;Trethocanic acid [INN];7007-81-0;UNII-8KVN8C4I9P;8KVN8C4I9P;Dodecanoic acid, 3-hydroxy-3,7,11-trimethyl-;SCHEMBL6733719;CHEMBL2103894;DTXSID20863977;Q27270686

Chemical Property of Trethocanic acid

Chemical Property:

• Vapor Pressure: 3.43E-07mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 376 °C at 760 mmHg
• Flash Point: 195.4 °C
• PSA: 57.53000
• Density: 0.96 g/cm³
• LogP: 3.84480
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 258.21949481
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)CCCC(C)(CC(=O)O)O

Technology Process of Trethocanic acid

There total 1 articles about Trethocanic acid 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:

→ 3-hydroxy-3,7,11-trimethyl dodecanoic acid (7007-81-0)

Guidance literature:

entspr. Ethylester, KOH;