Dicaprylyl carbonate

Base Information

• Chemical Name: Dicaprylyl carbonate
• CAS No.: 1680-31-5
• Molecular Formula: C17H34O3
• Molecular Weight: 286.455
• Hs Code.: 2917399090
• European Community (EC) Number: 434-850-2,605-498-9
• UNII: 609A3V1SUA
• DSSTox Substance ID: DTXSID9075115
• Nikkaji Number: J1.700.172H
• Wikidata: Q27263196
• RXCUI: 1372926
• Mol file: 1680-31-5.mol

Synonyms:Dioctyl Carbonate;DICAPRYLYL CARBONATE;1680-31-5;Carbonic acid, dioctyl ester;UNII-609A3V1SUA;609A3V1SUA;dioctylcarbonate;dicaprylyl carbonat;di-1-octyl carbonate;carbonic acid dioctyl ester;SCHEMBL119774;DTXSID9075115;PKPOVTYZGGYDIJ-UHFFFAOYSA-N;DICAPRYLYL CARBONATE [INCI];DICAPRYLYL CARBONATE [WHO-DD];CARBONIC ACID, DICAPRYLYL ESTER;BS-51968;HY-135737;CS-0113899;F71258;Q27263196

Chemical Property of Dicaprylyl carbonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: -18 °C
• Refractive Index: 1.442
• Boiling Point: 350.886 °C at 760 mmHg
• Flash Point: 134.694 °C
• PSA: 35.53000
• Density: 0.898 g/cm³
• LogP: 5.86060
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 286.25079494
• Heavy Atom Count: 20
• Complexity: 184

Purity/Quality:

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

DioctylCarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)OCCCCCCCC
• Uses: Dioctyl Carbonate, can be used in cosmetic formulations to improve various skin conditions, an in sunscreen.

Technology Process of Dicaprylyl carbonate

There total 27 articles about Dicaprylyl carbonate 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: 91.0%

octanol (111-87-5) + n-Octyl vinyl carbonate (104483-29-6) → dioctyl carbonate (1680-31-5)

Guidance literature:

With 4 A molecular sieve; In di-isopropyl ether; at 25 ℃; for 1h; SP 435 Lipase;

DOI:10.1016/S0040-4020(01)88237-5

Reference yield: 90.6%

octanol (111-87-5) + urea (57-13-6) → dioctyl carbonate (1680-31-5)

Guidance literature:

With nickel diacetate; triphenylphosphine; at 140 - 170 ℃; for 20h; under 150.015 Torr;

Reference yield: 89.0%

Octyl carbonofluoridate (104483-19-4) → 1-Fluoro-octane (463-11-6) + dioctyl carbonate (1680-31-5)

Guidance literature:

With HBGF; at 125 ℃; for 1h;

DOI:10.1016/S0040-4039(02)00738-4

upstream raw materials:

octanol

Diethyl carbonate

phosgene

n-Octyl vinyl carbonate

Downstream raw materials:

phenylethyl octyl carbamate

methyl N-(2-phenylethyl)carbamate

di-n-octyl ether

octanol

Refernces

• 1、 Sakai et al.. "". . p. 1176,1178, 1179. Retrieved 1971.
• 2、 -. "Room temperature and normal pressure preparation method of organic carbonate". Paragraph 0109-0111. . Retrieved 2020/07/15.
• 3、 -. "Method of manufacturing Dialkyl carbonate using carbon dioxide". Paragraph 0073-0079; 0088; 0149-0151. . Retrieved 2019/08/12.