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2-Ethyl-2-(hydroxymethyl)-1,3-propanediol

Catalog NumberACM77996

CAS Number77-99-6

CategoryMonomers

2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
Description
DryPowder; Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;COLOURLESS-TO-WHITE HYGROSCOPIC CRYSTALS OR PELLETS.
IUPAC Name
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Molecular Weight
134.17g/mol
Molecular Formula
C6H14O3;C6H14O3;C6H14O3
Canonical SMILES
CCC(CO)(CO)CO
InChI
InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChI Key
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Boiling Point
160 °C @ 5 MM HG;292-297 °C
Melting Point
58 °C;58 °C
Flash Point
172 °C c.c.
Purity
99%
Density
1.084 g/cm³
Solubility
SOL IN ALL PROP IN WATER, ALCOHOL; INSOL IN BENZENE, CARBON TETRACHLORIDE;Solubility in water at 20 °C: miscible
Application
2-Ethyl-2-(hydroxymethyl)-1,3-propanediol serves as a versatile building block in the production of various resins and coatings, thanks to its multifunctional nature. It acts as a precursor for the synthesis of alkyd resins, which are central to creating high-gloss coatings and ion exchange resins. The compound is also integral to forming urethanes and polyester derivatives through processes such as ethoxylation and propoxylation. In the polymer industry, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is used in the production of polyurethanes for coatings and elastomers, and in saturated polyesters for applications like coil coatings. Its derivatives are important in creating acrylic acid esters for radiation curing and esters for synthetic lubricants. Moreover, it contributes to the surface treatment of pigments. Products utilizing this compound are known for their excellent resistance to alkali, detergents, and water, as well as their remarkable impact resistance, flexibility, and retention of clarity.
Color/Form
WHITE POWDER OR PLATES;COLORLESS CRYSTALS
Complexity
60.4
Covalently-Bonded Unit Count
1
EC Number
201-074-9
Exact Mass
134.094294g/mol
Formal Charge
0
Heavy Atom Count
9
ICSC Number
0366
Log P
-1.48 (LogP);-0.5
MeSH Entry Terms
1,1,1-tris(hydroxymethyl)propane;trimethylolpropane
Monoisotopic Mass
134.094294g/mol
NSC Number
3576
Other Experimental
HYGROSCOPIC
Rotatable Bond Count
4
RTECS Number
TY6470000
UNII
090GDF4HBD
Vapor Density
Relative vapor density (air = 1): 4.63
XLogP3
-0.8
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