1,1,1-Tris(hydroxymethyl)ethane

Base Information

• Chemical Name: 1,1,1-Tris(hydroxymethyl)ethane
• CAS No.: 77-85-0
• Deprecated CAS: 2014337-54-1,2182590-62-9
• Molecular Formula: C5H12O3
• Molecular Weight: 120.148
• Hs Code.: 29054910
• European Community (EC) Number: 201-063-9
• NSC Number: 65581
• UNII: 5D10NYN23W
• DSSTox Substance ID: DTXSID2026444
• Nikkaji Number: J35.167I
• Wikipedia: Trimethylolethane
• Wikidata: Q3460226
• Mol file: 77-85-0.mol

Synonyms:1,1,1-tris(hydroxymethyl)ethane

Chemical Property of 1,1,1-Tris(hydroxymethyl)ethane

Chemical Property:

• Appearance/Colour: White crystals.
• Vapor Pressure: 0.000292mmHg at 25°C
• Melting Point: 193-195 °C(lit.)
• Refractive Index: 1.486
• Boiling Point: 286.7 °C at 760 mmHg
• PKA: 14.03±0.10(Predicted)
• Flash Point: 145.5 °C
• PSA: 60.69000
• Density: 1.159 g/cm³
• LogP: -1.03040
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: soluble
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.078644241
• Heavy Atom Count: 8
• Complexity: 50.4

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Tris(hydroxymethyl)ethane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(CO)(CO)CO
• Uses: Conditioning agent, manufacture of varnishes, alkyd and polyester resins, synthetic drying oils. 1,1,1-Tris(hydroxymethyl)ethane is an intermediate in the production of alkyd and polyester resins, powder coating resins, synthetic lubricants based on polyol esters, stabilizers for plastics, plasticizers, and pigment coatings. It is used in some phase change materials.

Technology Process of 1,1,1-Tris(hydroxymethyl)ethane

There total 29 articles about 1,1,1-Tris(hydroxymethyl)ethane 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: 100.0%

trimethyl-(2,2,5-trimethyl-[1,3]dioxan-5-ylmethoxy)-silane → 2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0)

Guidance literature:

sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In water; at 30 ℃; for 24h;

DOI:10.1055/s-2007-968009

Reference yield: 81.4%

copper-II acetate + propionaldehyde (123-38-6) → 2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0)

Guidance literature:

With sodium hydroxide; formaldehyd; triethylamine; Ni-Cr-Al; In acetone;

Reference yield: 24.0%

1,1,1-Trimethylolethane dinitrate (84051-79-6) → 3-hydroxymethyl-3-methyloxethane (3143-02-0) + 2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) + ethyl nitrate (625-58-1) + 1,1,1-Trimethylolethane mononitrate (84051-80-9) + 3-methyl-3-(nitroxymethyl)oxetane (84051-81-0)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 55 ℃; for 3.10833h; Product distribution; Rate constant; var. NaOH conc.;

DOI:10.1021/jo00151a008

upstream raw materials:

formaldehyd

benzophenone

diethyl ether

ethene

Downstream raw materials:

2-(hydroxymethyl)-2-methyl-1,3-propanediol trinonanoate

2-(hydroxymethyl)-2-methyl-1,3-propanediol tridecanoate

3-hydroxymethyl-3-methyloxethane

trimethylolethane trinitrate

Refernces

• 1、 Salazar Marcano, David E.,Lentink, Sarah,Moussawi, Mhamad A.,Parac-Vogt, Tatjana N.. "Solution Dynamics of Hybrid Anderson-Evans Polyoxometalates". supporting information. p. 10215 - 10226. Retrieved 2021/05/31.
• 2、 Moaven, Shiva,Yu, Jingze,Yasin, Jason,Unruh, Daniel K.,Cozzolino, Anthony F.. "Precise Steric Control over 2D versus 3D Self-Assembly of Antimony(III) Alkoxide Cages through Strong Secondary Bonding Interactions". supporting information. p. 8372 - 8380. Retrieved 2017/07/22.