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| | 1,1,1-Tris(hydroxymethyl)ethane Basic information |
| Product Name: | 1,1,1-Tris(hydroxymethyl)ethane | | Synonyms: | 2-METHYL-2-HYDROXYMETHYL-1,3-PROPANEDIOL;1,1,1-Tri(hydroxymethyl)ethane;1,1,1-tris(hydroxymethyl)-ethan;1,1,1-Tris(methylol)ethane;1,3-Propanediol,2-(hydroxymethyl)-2-methyl-;2-(hydroxymethyl)-2-methyl-3-propanediol;2,2-bis(hydroxymethyl)-1-propanol;2,2-di(hydroxymethyl)propanol | | CAS: | 77-85-0 | | MF: | C5H12O3 | | MW: | 120.15 | | EINECS: | 201-063-9 | | Product Categories: | Industrial/Fine Chemicals;KT00001 | | Mol File: | 77-85-0.mol |  |
| | 1,1,1-Tris(hydroxymethyl)ethane Chemical Properties |
| Melting point | 193-195 °C(lit.) | | Boiling point | 137°C 15mm | | density | 1.0456 (rough estimate) | | refractive index | 1.4056 (estimate) | | Fp | 160°C | | storage temp. | Inert atmosphere,Room Temperature | | pka | 14.03±0.10(Predicted) | | form | Crystalline Powder, Crystals, and/or Chunks | | color | White | | Water Solubility | soluble | | Sensitive | Hygroscopic | | BRN | 1304452 | | Henry's Law Constant | 9.0×102 mol/(m3Pa) at 25℃, HSDB (2015) | | InChI | 1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3 | | InChIKey | QXJQHYBHAIHNGG-UHFFFAOYSA-N | | SMILES | CC(CO)(CO)CO | | CAS DataBase Reference | 77-85-0(CAS DataBase Reference) | | NIST Chemistry Reference | 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-(77-85-0) | | EPA Substance Registry System | 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl- (77-85-0) |
| | 1,1,1-Tris(hydroxymethyl)ethane Usage And Synthesis |
| Chemical Properties | white crystalline powder, crystals and/or chunks | | Uses | Conditioning agent, manufacture of varnishes,
alkyd and polyester resins, synthetic drying oils. | | Uses | 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. | | Production Methods | 1,1,1-Tris(hydroxymethyl)ethane (2-hydroxymethyl-2-methyl-1,3-propanediol) is made by aldol condensation of propionaldehyde with formaldehyde, followed by reaction of the intermediate 2,2-bis(hydroxymethyl)propanal with excess formaldehyde in the presence of sodium hydroxide or lime as basic component. The resulting aqueous solution is freed from excess formaldehyde by distillation under pressure and further concentrated. The formate byproduct can be separated by extracting the trimethylolethane from the residue with organic solvents such as 2-propanol or by almost complete removal of the water and dissolving the trimethylolethane in acetone or methanol.
| | Purification Methods | Dissolve it in hot tetrahydrofuran, filter and precipitate it with hexane. It has also been crystallised from acetone/water (1:1). Dry it in a vacuum. [Beilstein 1 H 520, 1 IV 2780.] |
| | 1,1,1-Tris(hydroxymethyl)ethane Preparation Products And Raw materials |
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