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

• ChemBase ID: 150663
• Molecular Formular: C15H20O6
• Molecular Mass: 296.3157
• Monoisotopic Mass: 296.12598836
• SMILES: CCC(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)CC
• InChI: InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3
• InChIKey: DAKWPKUUDNSNPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis[(prop-2-enoyloxy)methyl]butyl prop-2-enoate
• IUPAC Traditional name: trimethylolpropane triacrylate
• Synonyms: TMPTA; Trimethylolpropane triacrylate; Trimethylolpropane triacrylate, stabilized; Trimethylolpropane triacrylate; 三羟甲基丙烷三丙烯酸酯; 三丙烯酸丙烷三甲醇酯, 稳定化

Database IDs

• CAS Number: 15624-09-5; 15625-89-5
• EC Number: 239-701-3
• MDL Number: MFCD00008628
• PubChem SID: 162244824; 24854826
• PubChem CID: 27423

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2790086
• LogD (pH = 7.4): 3.2790086
• Log P: 3.2790086
• Molar Refractivity: 75.9516 cm^3
• Polarizability: 29.98287 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: >200°C/1mm
• Flash Point: 113 °C; 235.4 °F; 87°C(188°F)
• Density: 1.1 g/mL at 25 °C(lit.); 1.10
• Refractive Index: 1.4735; n20/D 1.474(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: AT4810000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/38-43
• Safety Statements: 39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319; H315-H319-H317-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: technical grade
• Contains: 600 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: (H2C=CHCO2CH2)3CC2H5

DETAILS

Sigma Aldrich - 246808

Packaging
100, 500 g in poly bottle