Ditrimethylolpropane

Base Information

• Chemical Name: Ditrimethylolpropane
• CAS No.: 23235-61-2
• Deprecated CAS: 135669-60-2,1287652-24-7,1287652-24-7
• Molecular Formula: C12H26O5
• Molecular Weight: 250.335
• Hs Code.: 29094990
• European Community (EC) Number: 245-509-0
• UNII: 53E6MN32Z5
• DSSTox Substance ID: DTXSID9044879
• Nikkaji Number: J60.718E
• Wikidata: Q22829780
• ChEMBL ID: CHEMBL3188200
• Mol file: 23235-61-2.mol

Synonyms:23235-61-2;Ditrimethylolpropane;Di(trimethylolpropane);Di(trimethylol propane);Di-Trimethylolpropane;2,2'-(oxydimethanediyl)bis(2-ethylpropane-1,3-diol);2,2'-(Oxybis(methylene))bis(2-ethylpropane-1,3-diol);1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-;UNII-53E6MN32Z5;DTXSID9044879;2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol;53E6MN32Z5;EINECS 245-509-0;EC 245-509-0;2,2'-[Oxybis(methylene)]bis[2-ethylpropane-1,3-diol];1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-ethyl-;2-ethyl-2-{[2-ethyl-3-hydroxy-2-(hydroxymethyl)propoxy]methyl}propane-1,3-diol;Di -trimethylolpropane;BISTRIMETHYLOLPROPANE;DITRIMETHYLOL PROPANE;SCHEMBL45482;Di(trimethylolpropane), 97%;CHEMBL3188200;DTXCID7024879;Di(trimethylolpropane), >/=98%;YAA23561;Tox21_301690;MFCD00192117;AKOS015915906;NCGC00256055-01;AS-69320;CAS-23235-61-2;CS-0320640;D4538;FT-0625373;BIS(1,1-DIMETHYLOLPROPYL)DIMETHYL ETHER;E78830;Bis[2-ethyl-2,2-bis(hydroxymethyl)ethyl] Ether;W-107415;2,2'-Oxybis(methylene)bis(2-ethyl-1,3-propanediol);2,2'-oxybis(methylene)bis(2-ethylpropane-1,3-diol);3,3,7,7-TETRAKIS(HYDROXYMETHYL)-5-OXANONANE;Q22829780;2,2'-(OXYDIMETHYLENE)BIS(2-ETHYL-1,3-PROPANEDIOL);2,2'-(Oxybis(methylene))bis(2-ethylpropane-1,3-diol)(Flakes or Chunks)

Chemical Property of Ditrimethylolpropane

Chemical Property:

• Vapor Pressure: 2.05E-09mmHg at 25°C
• Melting Point: 108-111 °C(lit.)
• Refractive Index: 1.498
• Boiling Point: 435.6 °C at 760 mmHg
• PKA: 13.90±0.10(Predicted)
• Flash Point: 217.2 °C
• PSA: 90.15000
• Density: 1.122 g/cm³
• LogP: -0.23500
• Solubility.: soluble in Methanol
• Water Solubility.: 21g/L at 20℃
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 250.17802393
• Heavy Atom Count: 17
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Di(trimethylolpropane) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)(CO)COCC(CC)(CO)CO
• Uses: Di(trimethylolpropane) can be used for the synthesis of lipase catalyzed hyperbranched polymers. It can also be used in the formation of biodegradable polymers for drug delivery applications.

Technology Process of Ditrimethylolpropane

There total 13 articles about Ditrimethylolpropane 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: 71.0%

1,1,1-tri(hydroxymethyl)propane (77-99-6) → 3,3,7,7-tetra(hydroxymethyl)-5-oxanonane (23235-61-2)

Guidance literature:

With [1,3]-dioxolan-2-one; tetrabutoxytitanium; boron trioxide; sodium formate; at 145 - 190 ℃; for 26h; under 337.534 - 727.573 Torr; Reagent/catalyst; Temperature; Pressure; Dean-Stark;

Reference yield: 56.0%

methanesulfonic acid (75-75-2,98527-29-8) + 1,1,1-tri(hydroxymethyl)propane (77-99-6) + Diethyl carbonate (105-58-8,76619-83-5) → 3,3,7,7-tetra(hydroxymethyl)-5-oxanonane (23235-61-2)

Guidance literature:

1,1,1-tri(hydroxymethyl)propane; Diethyl carbonate; With potassium hydroxide; In water; at 90 ℃; for 1h;

methanesulfonic acid; In water; at 135 ℃; for 1h; Concentration; Reagent/catalyst; Temperature;

Reference yield: 15.0%

ethylacrolein (922-63-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → bis-TMP (93983-16-5) + 1,1,1-tri(hydroxymethyl)propane (77-99-6) + 3,3,7,7-tetra(hydroxymethyl)-5-oxanonane (23235-61-2)

Guidance literature:

In water; at 96 - 100 ℃; for 3.3h;

upstream raw materials:

formaldehyd

butyraldehyde

ethylacrolein

1,1,1-tri(hydroxymethyl)propane

Downstream raw materials:

methanol

Refernces

• 1、 Frey, Guido D.,Dewhurst, Rian D.,Herdtweckc, Eberhardt. "Synthesis and solid-state structure of 2,2,2',2' -(Tetrahydroxymethyl)- dibutylether (Di-TMP), an environmentally benign polymer crosslinker and high-potential additive for lubricants". . p. 181 - 184. Retrieved 2012.
• 2、 -. "Process for the manufacture of di-TMP". Page/Page column 6. . Retrieved 2015/09/22.
• 3、 -. "METHOD FOR PRODUCING DITRIMETHYLOLPROPANE". Paragraph 0146; 0147; 0148; 0149; 0150. . Retrieved 2013/07/25.