T87807
1,1,1-Tris(hydroxymethyl)ethane
≥98%
Synonym(s):
2-Hydroxymethyl-2-methyl-1,3-propanediol, Trimethylolethane
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About This Item
Linear Formula:
CH3C(CH2OH)3
CAS Number:
Molecular Weight:
120.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-063-9
Beilstein/REAXYS Number:
1304452
MDL number:
Assay:
≥98%
Quality Segment
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
Application
1,1,1-Tris(hydroxymethyl)ethane can be used as a reactant to synthesize:
It can also be used as a tridentate O-donor ligand in the:
- 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.
Storage Class
11 - Combustible Solids
flash_point_f
320.0 °F - closed cup
flash_point_c
160.00 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
signalword
Warning
hcodes
Hazard Classifications
Repr. 2
wgk
WGK 1
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