2-hydroxy-3-[4-(2-{4-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]phenyl}propan-2-yl)phenoxy]propyl prop-2-enoate

• ChemBase ID: 151339
• Molecular Formular: C27H32O8
• Molecular Mass: 484.53818
• Monoisotopic Mass: 484.20971798
• SMILES: CC(C)(c1ccc(cc1)OCC(COC(=O)C=C)O)c1ccc(cc1)OCC(COC(=O)C=C)O
• Canonical SMILES: C=CC(=O)OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C=C)O)(C)C)O
• InChI: InChI=1S/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3
• InChIKey: VZTQQYMRXDUHDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-[4-(2-{4-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]phenyl}propan-2-yl)phenoxy]propyl prop-2-enoate
• IUPAC Traditional name: 2-hydroxy-3-[4-(2-{4-[2-hydroxy-3-(prop-2-enoyloxy)propoxy]phenyl}propan-2-yl)phenoxy]propyl prop-2-enoate
• Synonyms: Bisphenol A glycerolate (1 glycerol/phenol) diacrylate; 双酚 A 甘油二丙烯酸

Database IDs

• CAS Number: 4687-94-9
• EC Number: 225-144-3
• MDL Number: MFCD01317012
• PubChem SID: 24865731; 162245494
• PubChem CID: 92212

CALCULATED PROPERTIES

• Acid pKa: 13.335198
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 4.557393
• LogD (pH = 7.4): 4.5573926
• Log P: 4.557393
• Molar Refractivity: 140.3477 cm^3
• Polarizability: 51.124157 Å^3
• Polar Surface Area: 111.52 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.18 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.557(lit.)
• Viscosity: 2000-4000 cP(65 °C)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 43
• Safety Statements: 36-37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Contains: ~600 ppm MEHQ as inhibitor
• Acid Value: <5 mg KOH/g
• Empirical Formula (Hill Notation): C27H32O8

DETAILS

Sigma Aldrich - 411167

Packaging
250 mL in poly bottle
Physical form
epoxy acrylate oligomer
Application
UV curable cross-linking agent. Component of curable inks, coatings, varnishes and lacquers.
Features and Benefits
High viscosity, non-volatile, difunctional acrylate. Gives fast cure speeds, low odor and low volatility.