Hentriacontanoic acid

Base Information

• Chemical Name: Hentriacontanoic acid
• CAS No.: 38232-01-8
• Molecular Formula: C31H62O2
• Molecular Weight: 466.832
• Hs Code.: 2915900090
• UNII: B8P9L2CU4E
• DSSTox Substance ID: DTXSID40191623
• Nikkaji Number: J1.337.431G
• Wikipedia: Hentriacontylic_acid
• Wikidata: Q2823265
• Metabolomics Workbench ID: 52
• Mol file: 38232-01-8.mol

Synonyms:HENTRIACONTANOIC ACID;38232-01-8;Hentriacontylic acid;B8P9L2CU4E;C31:0;Henatriacontylic acid;Mellisic acid;HENTRIACONTANOICACID;UNII-B8P9L2CU4E;Hentriacontanoic acid, >=99%;SCHEMBL1803770;DTXSID40191623;CHEBI:165441;LMFA01010031;FA 31:0;HY-134658;CS-0146853;FT-0751104;Q2823265;95DAEF70-82C4-458D-A99A-B46BFF108A3B

Chemical Property of Hentriacontanoic acid

Chemical Property:

• Vapor Pressure: 9.37E-09mmHg at 25°C
• Melting Point: 109.3-109.6 °C
• Refractive Index: 1.4871 (estimate)
• Boiling Point: 446.5°C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 199°C
• PSA: 37.30000
• Density: 0.872g/cm³
• LogP: 11.40380
• Storage Temp.: 2-8°C
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 29
• Exact Mass: 466.47498122
• Heavy Atom Count: 33
• Complexity: 366

Purity/Quality:

98%,99%, ^*data from raw suppliers

Hentriacontanoic acid ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Fatty Acids and Fats
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Uses: Hentriacontanoic Acid, is a fatty acid conjugate.

Technology Process of Hentriacontanoic acid

There total 5 articles about Hentriacontanoic 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:

10-Keto-hentriacontansaeure → 1-hentriacontanoic acid (38232-01-8)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In water; diethylene glycol; Heating;

DOI:10.1246/bcsj.33.531

Reference yield:

Ethyl 8-bromooctanoate (29823-21-0) → 1-hentriacontanoic acid (38232-01-8)

Guidance literature:

Multi-step reaction with 3 steps

3: KOH, N₂H₄*H₂O / bis-(2-hydroxy-ethyl) ether; H₂O / Heating

With potassium hydroxide; hydrazine hydrate; In water; diethylene glycol;

DOI:10.1246/bcsj.33.531

Reference yield:

octane-1,1,8-tricarboxylic acid triethyl ester (93813-44-6) → 1-hentriacontanoic acid (38232-01-8)

Guidance literature:

Multi-step reaction with 2 steps

2: KOH, N₂H₄*H₂O / bis-(2-hydroxy-ethyl) ether; H₂O / Heating

With potassium hydroxide; hydrazine hydrate; In water; diethylene glycol;

DOI:10.1246/bcsj.33.531

upstream raw materials:

1-iodotriacontane

Ethyl 8-bromooctanoate

octane-1,1,8-tricarboxylic acid triethyl ester

Downstream raw materials:

hentriacontanol

hectane

pentacontan-1-ol

pentacontanoic acid propyl ester