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

• ChemBase ID: 146660
• Molecular Formular: C17H20O8
• Molecular Mass: 352.3359
• Monoisotopic Mass: 352.1158176
• SMILES: C=CC(=O)OCC(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)COC(=O)C=C
• InChI: InChI=1S/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2
• InChIKey: KNSXNCFKSZZHEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate
• IUPAC Traditional name: pentaerythritol tetraacrylate
• Synonyms: Pentaerythritol tetraacrylate; 季戊四醇四丙烯酸酯

Database IDs

• CAS Number: 4986-89-4
• MDL Number: MFCD00015334
• PubChem SID: 24865554; 162240853
• PubChem CID: 62556

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9844205
• LogD (pH = 7.4): 2.9844205
• Log P: 2.9844205
• Molar Refractivity: 86.9245 cm^3
• Polarizability: 34.253937 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.19 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.487(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/38-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319
• GHS Precautionary statements: 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

• Impurities: 10-40% triester
• Contains: 350 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: (H2C=CHCO2CH2)4C

DETAILS

Sigma Aldrich - 408263

Packaging
100, 250 mL in poly bottle