8-Hydroxyoctanoic acid

Base Information

• Chemical Name: 8-Hydroxyoctanoic acid
• CAS No.: 764-89-6
• Molecular Formula: C8H16O3
• Molecular Weight: 160.213
• Hs Code.: 2918199090
• European Community (EC) Number: 634-761-0
• DSSTox Substance ID: DTXSID40227234
• Nikkaji Number: J129.296J
• Wikidata: Q27148223
• Metabolomics Workbench ID: 1300
• Mol file: 764-89-6.mol

Synonyms:8-hydroxyoctanoic acid

Chemical Property of 8-Hydroxyoctanoic acid

Chemical Property:

• Appearance/Colour: light yellow powder
• Vapor Pressure: 0.000123mmHg at 25°C
• Melting Point: 59-63 °C
• Refractive Index: 1.4370 (estimate)
• Boiling Point: 298.9 °C at 760 mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 148.8 °C
• PSA: 57.53000
• Density: 1.049g/cm³
• LogP: 1.40390
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

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

8-Hydroxyoctanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCC(=O)O)CCCO

Technology Process of 8-Hydroxyoctanoic acid

There total 5 articles about 8-Hydroxyoctanoic 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:

Cyclooctan (292-64-8) → 8-hydroxycaprylic acid (764-89-6) + cycloactanone (502-49-8) + 1,8-Octanediol (629-41-4)

Guidance literature:

With D-glucose; oxygen; In aq. phosphate buffer; at 25 ℃; pH=8; Green chemistry; Enzymatic reaction;

DOI:10.1039/d0gc02600j

Reference yield:

cyclooctanol (696-71-9) → 8-hydroxycaprylic acid (764-89-6) + 1,8-Octanediol (629-41-4)

Guidance literature:

With D-glucose; oxygen; In aq. phosphate buffer; at 25 ℃; pH=8; Green chemistry; Enzymatic reaction;

DOI:10.1039/d0gc02600j

Reference yield:

octane-1,8-dioic acid (505-48-6) → 8-hydroxycaprylic acid (764-89-6) + 1,8-Octanediol (629-41-4)

Guidance literature:

With hydrogen; In 1,4-dioxane; at 139.84 ℃; for 4h; under 60006 Torr; Reagent/catalyst; Overall yield = 5.0 %; Catalytic behavior; Autoclave;

DOI:10.1039/c6cy00335d

upstream raw materials:

8-bromooctanoic acid

1-(3-hydroxyphenyl)-1-hexanol

octane-1,8-dioic acid

cyclooctanol

Downstream raw materials:

8-(tetrahydro-2'H-pyran-2'-yl-oxy)-1-octanoic acid

7-formylheptanoic acid

methanesulfonic acid 7-phenylcarbamoyl-heptyl ester

8-benzyloxyamino-octanoic acid phenylamide

Refernces

• 1、 Takeda, Yasuyuki,Tamura, Masazumi,Nakagawa, Yoshinao,Okumura, Kazu,Tomishige, Keiichi. "Hydrogenation of dicarboxylic acids to diols over Re-Pd catalysts". . p. 5668 - 5683. Retrieved 2016/07/21.
• 2、 Haviv,Ratajczyk,DeNet,Martin,Dyer,Carter. "Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues". . p. 254 - 263. Retrieved 2007/10/02.