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

• ChemBase ID: 145472
• Molecular Formular: C53H66O25
• Molecular Mass: 1103.07614
• Monoisotopic Mass: 1102.38931761
• SMILES: C=CC(=O)OCC(CO)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
• Canonical SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CO
• InChI: InChI=1S/C28H34O13.C25H32O12/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6;1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h7-12H,1-6,13-20H2;6-10,26H,1-5,11-18H2
• InChIKey: WDCLDIHFVMMPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propoxy]-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate 3-{3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propoxy}-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
• IUPAC Traditional name: 3-[3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propoxy]-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate 3-{3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propoxy}-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
• Synonyms: Dipentaerythritol penta-/hexa-acrylate; 二季戊四醇戊-/己-丙烯酸

Database IDs

• CAS Number: 60506-81-2
• MDL Number: MFCD00192104
• PubChem SID: 162239677; 24865441
• PubChem CID: 71311163

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.269041
• LogD (pH = 7.4): 4.269041
• Log P: 4.269041
• Molar Refractivity: 142.7405 cm^3
• Polarizability: 56.33199 Å^3
• Polar Surface Area: 167.03 Å^2
• Rotatable Bonds: 53
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.155 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.49(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Contains: 500 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: O[CH2C(CH2OR)3]2, R = COCH=CH2 or H

DETAILS

Sigma Aldrich - 407283

Packaging
100, 500 mL in poly bottle