| Identification | More | [Name]
1,1,1-Tris(hydroxymethyl)ethane | [CAS]
77-85-0 | [Synonyms]
1,1,1-TRIMETHANOLETHANE
1,1,1-TRIMETHYLOLETHANE
1,1,1-TRIS(HYDROXYMETHYL)ETHANE
2-HYDROXYMETHYL-2-METHYL-1,3-PROPANEDIOL
PENTAGLYCEROL
TRIMETHYLOLETHANE
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
3-Propanediol,2-(hydroxymethyl)-2-methyl-1
Ethane, 1,1,1-tris(hydroxymethyl)-
Methriol
Methyltrimethanolmethane
methyltrimethylolmethane
Metriol
nsc65581 | [EINECS(EC#)]
201-063-9 | [Molecular Formula]
C5H12O3 | [MDL Number]
MFCD00004687 | [Molecular Weight]
120.15 | [MOL File]
77-85-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder, crystals and/or chunks | [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 | [form ]
Crystalline Powder, Crystals, and/or Chunks | [pka]
14.03±0.10(Predicted) | [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 | [Uses]
Conditioning agent, manufacture of varnishes,
alkyd and polyester resins, synthetic drying oils. | [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]
77-85-0(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder, crystals and/or chunks | [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.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,1,1-Tris(hydroxymethyl)ethane(77-85-0)MS
1,1,1-Tris(hydroxymethyl)ethane(77-85-0)1HNMR
1,1,1-Tris(hydroxymethyl)ethane(77-85-0)13CNMR
1,1,1-Tris(hydroxymethyl)ethane(77-85-0)IR1
1,1,1-Tris(hydroxymethyl)ethane(77-85-0)IR2
1,1,1-Tris(hydroxymethyl)ethane(77-85-0)Raman
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