2-Hydroxyethyl octanoate

Base Information

• Chemical Name: 2-Hydroxyethyl octanoate
• CAS No.: 42131-42-0
• Molecular Formula: C₁₆H₃₂O₆
• Molecular Weight: 320.426
• NSC Number: 401980
• DSSTox Substance ID: DTXSID80866080
• Nikkaji Number: J106.453C
• Mol file: 42131-42-0.mol

Synonyms:2-hydroxyethyl octanoate;4219-47-0;2-hydroxyethyl caprylate;42131-42-0;Glycol Octanoate;NSC401980;Ethylene glycol caprylate;SCHEMBL825306;DTXSID80866080;octanoic acid 2-hydroxy-ethyl ester;(C2-H4-O)mult-C8-H16-O2;NSC-401980

Chemical Property of 2-Hydroxyethyl octanoate

Chemical Property:

• Vapor Pressure: 0.000267mmHg at 25°C
• Boiling Point: 288°Cat760mmHg
• Flash Point: 114.7°C
• Density: 0.967g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Polyoxyethylenes
• Canonical SMILES: CCCCCCCC(=O)OCCO

Technology Process of 2-Hydroxyethyl octanoate

There total 19 articles about 2-Hydroxyethyl 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: 80.0%

2-heptyl-1,3-dioxolane (4359-57-3) → Octanoic acid (124-07-2) + ethylene glycol mono caprylate (4219-47-0,42131-42-0)

Guidance literature:

With oxygen; zinc(II) chloride; CoCl₂; In 1,2-dimethoxyethane; at 90 ℃; for 30h;

Reference yield: 80.0%

2-methyl-1,3-dioxolane (497-26-7) → 1,2-ethanediol acetate formate (29776-97-4) + ethylene glycol mono caprylate (4219-47-0,42131-42-0)

Guidance literature:

With oxygen; zinc(II) chloride; CoCl₂; In 1,2-dimethoxyethane; at 55 ℃; for 41h;

Reference yield: 76.0%

2-heptyl-1,3-dioxolane (4359-57-3) → ethylene glycol mono caprylate (4219-47-0,42131-42-0)

Guidance literature:

With tert.-butylhydroperoxide; Pd(OCOCF₃)(OOBu^t); In benzene; at 50 ℃; for 12h;

DOI:10.1039/c39830001245

upstream raw materials:

caprylnitrile

ethylene glycol

2-methyl-1,3-dioxolane

2-heptyl-1,3-dioxolane

Refernces

• 1、 -. "Combinatorial synthesis of PEG oligomer libraries". Page/Page column 11. . Retrieved 2010/02/15.
• 2、 Franklin, Christopher L.,Li, Hui,Martin, Stephen F.. "Design, synthesis, and evaluation of water-soluble phospholipid analogues as inhibitors of phospholipase C from Bacillus cereus". . p. 7298 - 7307. Retrieved 2007/10/03.