Octanoate

Base Information

• Chemical Name: Octanoate
• CAS No.: 74-81-7
• Molecular Formula: C8H15O2-
• Molecular Weight: 143.206
• DSSTox Substance ID: DTXSID70995277
• Nikkaji Number: J283.219D
• Wikidata: Q27109891
• Mol file: 74-81-7.mol

Synonyms:caprylic acid;caprylic acid, 14C-labeled;caprylic acid, aluminum salt;caprylic acid, ammonia salt;caprylic acid, barium salt;caprylic acid, cadmium salt;caprylic acid, calcium salt;caprylic acid, cesium salt;caprylic acid, chromium(+2) salt;caprylic acid, cobalt salt;caprylic acid, copper salt;caprylic acid, copper(+2) salt;caprylic acid, iridum(+3) salt;caprylic acid, iron(+3) salt;caprylic acid, lanthanum(+3) salt;caprylic acid, lead(+2) salt;caprylic acid, lithium salt;caprylic acid, manganese salt;caprylic acid, nickel(+2) salt;caprylic acid, potassium salt;caprylic acid, ruthenium(+3) salt;caprylic acid, sodium salt;caprylic acid, sodium salt, 11C-labeled;caprylic acid, tin salt;caprylic acid, tin(+2) salt;caprylic acid, zinc salt;caprylic acid, zirconium salt;caprylic acid, zirconium(+4) salt;lithium octanoate;octanoate;octanoic acid;sodium caprylate;sodium octanoate

Chemical Property of Octanoate

Chemical Property:

• Boiling Point: 239.3°Cat760mmHg
• Flash Point: 107.4°C
• Density: g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 143.107204717
• Heavy Atom Count: 10
• Complexity: 83.7

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)[O-]
• Recent ClinicalTrials: Evaluation of the Ketogenic Potential of Different Diet Supplements

Technology Process of Octanoate

There total 5 articles about Octanoate 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:

octanoic acid ethyl ester (106-32-1) → ethanol (64-17-5) + octanoate (74-81-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 0.416667h; Thermodynamic data; ΔH;

DOI:10.1021/ja00020a036

Reference yield:

p-nitrophenyl-caprylate (1956-10-1) → octanoate (74-81-7) + p-nitrophenolate (14609-74-6)

Guidance literature:

With (2-hydroxypropyl)-α-cyclodextrin; In methanol; water; Rate constant; phosphate buffer, pH 11.6;

Reference yield:

C36H60O30*C15H19NO6 → octanoate (74-81-7) + C7H3NO5(2-) (22603-72-1)

Guidance literature:

With phosphate buffer; at 25 ℃; Rate constant;

DOI:10.1021/jo00243a055

upstream raw materials:

octanoic acid ethyl ester

Octanoic acid 3-nitro-phenyl ester

p-nitrophenyl-caprylate

Refernces

• 1、 Pinijsuwan, Suttiporn,Shipovskov, Stepan,Surareungchai, Werasak,Ferapontova, Elena E.,Gothelf, Kurt V.. "Development of a lipase-based optical assay for detection of DNA". experimental part. p. 6352 - 6356. Retrieved 2011/10/10.
• 2、 Gadosy, Timothy A.,Tee, Oswald S.. "The Kinetics of Basic Cleavage of Nitrophenyl Alkanoate Esters by 'Hydroxypropyl-β-cyclodextrin' in Aqueous Solution". . p. 715 - 722. Retrieved 2007/10/02.