2,2-bis({[(2-methylprop-2-enoyl)oxy]methyl})butyl 2-methylprop-2-enoate

• ChemBase ID: 150617
• Molecular Formular: C18H26O6
• Molecular Mass: 338.39544
• Monoisotopic Mass: 338.17293855
• SMILES: CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
• Canonical SMILES: CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
• InChI: InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3
• InChIKey: OKKRPWIIYQTPQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis({[(2-methylprop-2-enoyl)oxy]methyl})butyl 2-methylprop-2-enoate
• IUPAC Traditional name: TMPT
• Synonyms: TMPTMA; Trimethylolpropane trimethacrylate; 2-Ethyl-2-((methacryloyloxy)methyl)propane-1,3-diyl bis(2-methylacrylate); 三羟甲基丙烷三甲基丙烯酸酯

Database IDs

• CAS Number: 3290-92-4
• MDL Number: MFCD00008588
• PubChem SID: 162244778; 24854829
• PubChem CID: 18689

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.46566
• LogD (pH = 7.4): 4.46566
• Log P: 4.46566
• Molar Refractivity: 89.0229 cm^3
• Polarizability: 35.48203 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >130 °C; >266 °F
• Density: 1.06 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.472(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: TY6675000
• European Hazard Symbols: Nature polluting (N)
• German water hazard class: 2
• Risk Statements: 51/53
• Safety Statements: 61
• GHS Pictograms: GHS09
• GHS Hazard statements: H411
• GHS Precautionary statements: P273

Product Information

• Purity: 95+%
• Grade: technical grade
• Contains: 250 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: [H2C=C(CH3)CO2CH2]3CC2H5

DETAILS

Sigma Aldrich - 246840

Packaging
100, 500 g in poly bottle