2-hydroxy-3-{2-hydroxy-3-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]propoxy}propyl prop-2-enoate

• ChemBase ID: 148828
• Molecular Formular: C15H24O9
• Molecular Mass: 348.34566
• Monoisotopic Mass: 348.14203235
• SMILES: C=CC(=O)OCC(COCC(COCC(COC(=O)C=C)O)O)O
• Canonical SMILES: C=CC(=O)OCC(COCC(COCC(COC(=O)C=C)O)O)O
• InChI: InChI=1S/C15H24O9/c1-3-14(19)23-9-12(17)7-21-5-11(16)6-22-8-13(18)10-24-15(20)4-2/h3-4,11-13,16-18H,1-2,5-10H2
• InChIKey: PSSYEWWHQGPWGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-{2-hydroxy-3-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]propoxy}propyl prop-2-enoate
• IUPAC Traditional name: 2-hydroxy-3-{2-hydroxy-3-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]propoxy}propyl prop-2-enoate
• Synonyms: Triglycerol diacrylate; Glycerol 1,3-diglycerolate diacrylate; 甘油二缩水甘油醚与丙烯酸的加合物; 2-丙烯酸-(2-羟基-1,3-亚丙基)二[氧基(2-羟基-3,1-亚丙基)]酯

Database IDs

• CAS Number: 60453-84-1
• MDL Number: MFCD01632678
• PubChem SID: 162243002; 24871171
• PubChem CID: 4616639

CALCULATED PROPERTIES

• Acid pKa: 13.186278
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -0.33213145
• LogD (pH = 7.4): -0.33213213
• Log P: -0.33213142
• Molar Refractivity: 82.1265 cm^3
• Polarizability: 32.86418 Å^3
• Polar Surface Area: 131.75 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.237 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Grade: technical grade
• Contains: 1,000 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: [H2C=CHCO2CH2CH(OH)CH2OCH2]2CH(OH)

DETAILS

Sigma Aldrich - 475807

Packaging
100 mL in glass bottle