Octyl hydrogen adipate

Base Information

• Chemical Name: Octyl hydrogen adipate
• CAS No.: 17961-12-5
• Molecular Formula: C14H26 O4
• Molecular Weight: 258.358
• Hs Code.: 2918990090
• European Community (EC) Number: 241-885-5
• UNII: 2ZZD3RV7T2
• DSSTox Substance ID: DTXSID30170846
• Nikkaji Number: J21.768I
• Wikidata: Q83040864
• Mol file: 17961-12-5.mol

Synonyms:Octyl hydrogen adipate;17961-12-5;6-octoxy-6-oxohexanoic acid;2ZZD3RV7T2;EINECS 241-885-5;monooctyl adipate;Hexanedioic acid, 1-octyl ester;Adipic acid 1-octyl ester;UNII-2ZZD3RV7T2;OCTYL ALCOHOL, ADIPATE;SCHEMBL137195;ADIPIC ACID, OCTYL ESTER;DTXSID30170846;ADIPIC ACID, MONOOCTYL ESTER;HEXANEDIOIC ACID, MONOOCTYL ESTER

Chemical Property of Octyl hydrogen adipate

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 375.6°Cat760mmHg
• Flash Point: 130.2°C
• PSA: 63.60000
• Density: 1.002g/cm³
• LogP: 3.53510
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 226

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)CCCCC(=O)O

Technology Process of Octyl hydrogen adipate

There total 1 articles about Octyl hydrogen adipate 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:

Adipic acid (124-04-9) + octanol (111-87-5) → adipic acid monooctyl ester (17961-12-5)

Guidance literature:

at 180 - 210 ℃;

upstream raw materials:

Adipic acid

octanol