4-(2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate

• ChemBase ID: 148460
• Molecular Formular: C23H24O4
• Molecular Mass: 364.43426
• Monoisotopic Mass: 364.16745925
• SMILES: CC(=C)C(=O)Oc1ccc(cc1)C(C)(C)c1ccc(cc1)OC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)C(=C)C)(C)C
• InChI: InChI=1S/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3
• InChIKey: QUZSUMLPWDHKCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate
• IUPAC Traditional name: bisphenol A dimethacrylate
• Synonyms: Bisphenol A dimethacrylate; 双酚 A 二甲基丙烯酸酯

Database IDs

• CAS Number: 3253-39-2
• EC Number: 221-846-9
• MDL Number: MFCD00008585
• PubChem SID: 162242635; 24849606
• PubChem CID: 76739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.6369815
• LogD (pH = 7.4): 6.6369815
• Log P: 6.6369815
• Molar Refractivity: 115.5877 cm^3
• Polarizability: 41.10446 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 72-74 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-28
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: >98%
• Linear Formula: [H2C=C(CH3)CO2C6H4]2C(CH3)2

DETAILS

Sigma Aldrich - 156329

Packaging
10, 50 g in glass bottle