Pentaerythritol tetra(2-ethylhexanoate)

Base Information

• Chemical Name: Pentaerythritol tetra(2-ethylhexanoate)
• CAS No.: 7299-99-2
• Deprecated CAS: 120097-45-2,1402132-17-5,1671073-03-2,1671073-03-2
• Molecular Formula: C37H68O8
• Molecular Weight: 640.942
• European Community (EC) Number: 230-743-8
• UNII: XJ7052W897
• DSSTox Substance ID: DTXSID90864037
• Nikkaji Number: J212.296K
• Wikidata: Q27293865
• RXCUI: 1426406
• Mol file: 7299-99-2.mol

Synonyms:Pentaerythritol tetra(2-ethylhexanoate);7299-99-2;Pentaerythrityl tetraoctanoate;[3-(2-ethylhexanoyloxy)-2,2-bis(2-ethylhexanoyloxymethyl)propyl] 2-ethylhexanoate;UNII-XJ7052W897;pentaerythrityl tetraethylhexanoate;EINECS 230-743-8;XJ7052W897;Pentaerithrol, tetrakis-(2-ethylhexanoate);EC 230-743-8;2,2-Bis(((2-ethyl-1-oxohexyl)oxy)methyl)propane-1,3-diyl bis(2-ethylhexanoate);2-Ethylhexanoic acid, 2,2-bis(((1-oxo-2-ethylhexyl)oxy)methyl)-1,3-propanediyl ester;Hexanoic acid, 2-ethyl-, 2,2-bis(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl ester;2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate);Hexanoic acid, 2-ethyl-, 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl ester;DUB PTO;KAK PTO;TRIVENT PE-48;HEST P-4-O;SALACOS 5408;SCHEMBL93763;NIKKOL PENTALAN-408;HATCOL 5140;NIKKOL PENTARATE-408;DTXSID90864037;NS-408;pentaerythritol tetra-2-ethylhexanoate;AKOS040768267;AEC PENTAERYTHRITYL TETRAETHYLHEXANOATE;Pentaerythritol tetra(3-dodecylthiopropionate);PENTAERYTHRITYL TETRAETHYLHEXANOATE [INCI];PENTAERYTHRITYL TETRA-(2-ETHYL HEXANOATE);PENTAERYTHRITYL TETRAETHYLHEXANOATE, (+/-)-;Q27293865;2, 2- bis[[(2- ethyl- 1- oxohexyl)oxy]methyl]propane- 1, 3- diyl bis(2- ethylhexanoate);2,2-Bis{[(2-ethylhexanoyl)oxy]methyl}propane-1,3-diyl bis(2-ethylhexanoate);Hexanoic acid, 2-ethyl-, 2,2-bis(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propandiyl ester;Hexanoic acid, 2-ethyl-, 1,1'-(2,2-bis(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl) ester

Chemical Property of Pentaerythritol tetra(2-ethylhexanoate)

Chemical Property:

• Vapor Pressure: 1.15E-16mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 647.7 °C at 760 mmHg
• Flash Point: 257.3 °C
• PSA: 105.20000
• Density: 0.978 g/cm³
• LogP: 9.01120
• Water Solubility.: 400ng/L at 20℃
• XLogP3: 11.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 32
• Exact Mass: 640.49141912
• Heavy Atom Count: 45
• Complexity: 677

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC
• Uses: Pentaerythritol tetra(2-ethylhexanoate) is an emollient, it is also used to control product viscosity. pentaerythrityl tetraoctanoate is a binder and viscosity-increasing agent that also has occlusive properties, thereby helping retain moisture in the skin.

Technology Process of Pentaerythritol tetra(2-ethylhexanoate)

There total 1 articles about Pentaerythritol tetra(2-ethylhexanoate) 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: 98.0%

Pentaerythritol (115-77-5) + 2-Ethylhexanoic acid (149-57-5) → 2,2-bis(((2-ethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(2-ethylhexanoate) (7299-99-2)

Guidance literature:

With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1081/SCC-120006474

upstream raw materials:

Pentaerythritol

2-Ethylhexanoic acid

Refernces

• 1、 -. "USE OF ACID ANHYDRIDE ACCELERANTS FOR THE PRODUCTION OF HIGH PURITY POLYOL ESTERS". Paragraph 0050; 0051. . Retrieved 2018/07/31.
• 2、 -. "Cosmetic composition". . . Retrieved 2008/06/13.