2-({2,2-bis[(prop-2-enoyloxy)methyl]butoxy}methyl)-2-[(prop-2-enoyloxy)methyl]butyl prop-2-enoate

• ChemBase ID: 146290
• Molecular Formular: C24H34O9
• Molecular Mass: 466.52136
• Monoisotopic Mass: 466.22028267
• SMILES: CCC(COCC(CC)(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)(COCC(COC(=O)C=C)(COC(=O)C=C)CC)CC
• InChI: InChI=1S/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3
• InChIKey: XRMBQHTWUBGQDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2,2-bis[(prop-2-enoyloxy)methyl]butoxy}methyl)-2-[(prop-2-enoyloxy)methyl]butyl prop-2-enoate
• IUPAC Traditional name: 2-({2,2-bis[(prop-2-enoyloxy)methyl]butoxy}methyl)-2-[(prop-2-enoyloxy)methyl]butyl prop-2-enoate
• Synonyms: Di(trimethylolpropane) tetraacrylate; 二(三羟甲基丙烷)四丙烯酸

Database IDs

• CAS Number: 94108-97-1
• EC Number: 302-434-9
• MDL Number: MFCD00192118
• PubChem SID: 24865563; 162240488
• PubChem CID: 175585

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.8582172
• LogD (pH = 7.4): 4.8582172
• Log P: 4.8582172
• Molar Refractivity: 120.7947 cm^3
• Polarizability: 47.792957 Å^3
• Polar Surface Area: 114.43 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.101 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.479(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Contains: 1000 ppm monomethyl ether hydroquinone as inhibitor
• Mol. Weight: average Mw 466
• Linear Formula: [(H2C=CHCO2CH2)2C(C2H5)CH2]2O

DETAILS

Sigma Aldrich - 408360

Packaging
100 mL in poly bottle