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

• Catalog Number: ACM77996
• Product Name: 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
• CAS: 77-99-6
• Category: Heterocyclic Organic Compound
• 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.
• 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
• 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