Diisopropyl sebacate

Base Information

• Chemical Name: Diisopropyl sebacate
• CAS No.: 7491-02-3
• Molecular Formula: C16H30 O4
• Molecular Weight: 286.412
• European Community (EC) Number: 231-306-4
• UNII: J8T3X564IH
• DSSTox Substance ID: DTXSID3064720
• Nikkaji Number: J26.295A
• Wikidata: Q27281355
• RXCUI: 1363601
• Mol file: 7491-02-3.mol

Synonyms:bis(1-methylethyl) decanedioate;decanedioic acid bis(1-methylethyl) ester;diisopropyl sebacate;Prosebate;Schercemol DIS;Unimate DIPS

Chemical Property of Diisopropyl sebacate

Chemical Property:

• Vapor Pressure: 0.00069mmHg at 25°C
• Boiling Point: 308.2°Cat760mmHg
• Flash Point: 134.9°C
• PSA: 52.60000
• Density: 0.953g/cm³
• LogP: 4.01040
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Very Slightly)
• Water Solubility.: 2mg/L at 20℃
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 286.21440943
• Heavy Atom Count: 20
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

DiisopropylSebacate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C
• Uses: diisopropyl sebacate can be used in cosmetic formulations for its emollient properties. It is also used as a solvent, particularly for fragrances.

Technology Process of Diisopropyl sebacate

There total 3 articles about Diisopropyl sebacate 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: 58.0%

10-undecenoic acid (112-38-9) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl Sebacate (7491-02-3) + 10-isopropoxy-10-oxodecanoic acid

Guidance literature:

10-undecenoic acid; isopropyl alcohol; With ozone; Inert atmosphere;

With semicarbazide hydrochloride; at 0 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1007/s10600-014-1031-8

Reference yield:

1,10-decanedioic acid (111-20-6,26776-29-4) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl Sebacate (7491-02-3)

Guidance literature:

With sulfuric acid; 1,2-dichloro-ethane;

Reference yield:

→ diisopropyl Sebacate (7491-02-3)

Guidance literature:

upstream raw materials:

1,10-decanedioic acid

isopropyl alcohol

10-undecenoic acid

Refernces

• 1、 -. "Cosmetic composition". . . Retrieved 2008/06/13.