T87807

1,1,1-Tris(hydroxymethyl)ethane

≥98%

• Synonym(s): 2-Hydroxymethyl-2-methyl-1,3-propanediol, Trimethylolethane
• Linear Formula: CH₃C(CH₂OH)₃
• CAS Number: 77-85-0
• Molecular Weight: 120.15
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24900560
• EC Number: 201-063-9
• Beilstein/REAXYS Number: 1304452
• MDL number: MFCD00004687
• Assay: ≥98%

Properties

• Quality Segment: 200
• assay: ≥98%
• mp: 193-195 °C (lit.)
• functional group: hydroxyl
• SMILES string: CC(CO)(CO)CO
• InChI: 1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
• InChI key: QXJQHYBHAIHNGG-UHFFFAOYSA-N

Description

Application

1,1,1-Tris(hydroxymethyl)ethane can be used as a reactant to synthesize:

• Hyperbranched polyesters by polycondensation reaction with dimethyl esters of aliphatic dicarboxylic acids.
• Trimeric anionic surfactants by reacting with long-chain α-bromo fatty acids.

It can also be used as a tridentate O-donor ligand in the:

• Copper-catalyzed cross-coupling reactions between aryl iodides and amides, thiols, and phenols to prepare corresponding products via formation of C−N, C−S, and C−O bonds.
• N-arylation of azaheterocycles with aryl iodides using copper-catalyst.

Safety Information

• Storage Class: 11 - Combustible Solids
• Flash Point (°F): 320.0 °F - closed cup
• Flash Point (°C): 160.00 °C - closed cup
• PPE (personal protective equipment): Eyeshields, Gloves, type N95 (US)
• Pictograms: GHS08
• Signal Word: Warning
• Hazard Codes: H361fd
• Precautionary Statements: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Repr. 2
• WGK: WGK 1