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

• ChemBase ID: 150960
• Molecular Formular: C14H18O7
• Molecular Mass: 298.28852
• Monoisotopic Mass: 298.10525292
• SMILES: C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
• Canonical SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO
• InChI: InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2
• InChIKey: HVVWZTWDBSEWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
• IUPAC Traditional name: pentaerythrityl triacrylate
• Synonyms: PETA; Pentaerythritol triacrylate; Pentaerythritol triacrylate, stab. with 300-400ppm 4-methoxyphenol; 2-((Acryloyloxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl diacrylate; 季戊四醇三丙烯酸酯; 季戊四醇三丙烯酸酯, 300-400ppm 4-甲氧基苯酚做稳定剂

Database IDs

• CAS Number: 3524-68-3
• EC Number: 222-540-8
• MDL Number: MFCD00009607
• Beilstein Number: 6598752
• PubChem SID: 24854825; 162245119
• PubChem CID: 19042

CALCULATED PROPERTIES

• Acid pKa: 14.8948765
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5536687
• LogD (pH = 7.4): 1.5536687
• Log P: 1.5536687
• Molar Refractivity: 73.1253 cm^3
• Polarizability: 28.823357 Å^3
• Polar Surface Area: 99.13 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.16-1.19; 1.18 g/mL at 25 °C(lit.)
• Refractive Index: 1.484; n20/D 1.483(lit.)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: UD3370000
• 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
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-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

• Purity: 95+%
• Grade: technical grade
• Contains: 300-400 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: (H2C=CHCO2CH2)3CCH2OH

DETAILS

Sigma Aldrich - 246794

Packaging
100, 500 g in poly bottle