10-Hydroxyhexadecanoic acid

Base Information

• Chemical Name: 10-Hydroxyhexadecanoic acid
• CAS No.: 23048-75-1
• Molecular Formula: C16H32O3
• Molecular Weight: 272.42300
• UNII: 517PLX6392
• DSSTox Substance ID: DTXSID20574511
• Nikkaji Number: J297.083J
• Wikidata: Q27260878
• Mol file: 23048-75-1.mol

Synonyms:10-hydroxyhexadecanoic acid;10-hydroxypalmitic acid;23048-75-1;Hexadecanoic acid, 10-hydroxy-;DL-10-Hydroxypalmitic acid;10-Hydroxypalmitic acid, (+/-)-;517PLX6392;10-hydroxy-hexadecanoic acid;SCHEMBL443708;UNII-517PLX6392;DTXSID20574511;CHEBI:194453;F76246;Q27260878

Chemical Property of 10-Hydroxyhexadecanoic acid

Chemical Property:

• Melting Point: 71-72 °C(Solv: benzene (71-43-2))
• Boiling Point: 409.4±18.0 °C(Predicted)
• PKA: 4.78±0.10(Predicted)
• PSA: 57.53000
• Density: 0.955±0.06 g/cm3(Predicted)
• LogP: 4.52310
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 272.23514488
• Heavy Atom Count: 19
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCCCCCCC(=O)O)O

Technology Process of 10-Hydroxyhexadecanoic acid

There total 10 articles about 10-Hydroxyhexadecanoic 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: 95.0%

cis-9-hexadecenoic acid (373-49-9,2091-29-4) → 10-hydroxy-hexadecanoic acid (3422-30-8,23048-75-1,23048-82-0)

Guidance literature:

With recombinant Elizabethkingia meningoseptica oleate hydratase; In aq. phosphate buffer; at 25 ℃; for 0.5h; pH=6.5; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.molcatb.2017.01.010

Reference yield:

1-hexadecylcarboxylic acid (57-10-3) → 11-hydroxyhexadecanoic acid (502-75-0) + 10-hydroxy-hexadecanoic acid (3422-30-8,23048-75-1,23048-82-0) + 9-hydroxyhexadecanoic acid (17833-52-2)

Guidance literature:

With cytochrome P₄₅₀ BM-3 enzyme mutant 9-10A-F₈₇A; Enzymatic reaction;

Reference yield:

10-oxohexadecanoic acid (818-26-8) → 10-hydroxy-hexadecanoic acid (3422-30-8,23048-75-1,23048-82-0)

Guidance literature:

With acetic acid; Hydrogenation_.katalytische Hydrierung;

upstream raw materials:

10-oxohexadecanoic acid

10-hydroxy-hexadec-8-ynoic acid

heptanal

8-chloro-oct-1-yne

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