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

• CAS: 77-99-6
• Catalog Number: ACM77996
• Category: Other Products
• Molecular Weight: 134.17g/mol
• Molecular Formula: C6H14O3;C6H14O3;C6H14O3
• Description: DryPowder; Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;COLOURLESS-TO-WHITE HYGROSCOPIC CRYSTALS OR PELLETS.
• IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
• 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.
• 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.
• Autoignition Temperature: ~375 °C
• 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
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 9
• ICSC Number: 0366
• LogP: -1.48 (LogP);-0.5
• 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