1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate 2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate

• ChemBase ID: 147635
• Molecular Formular: C22H32O10
• Molecular Mass: 456.48348
• Monoisotopic Mass: 456.19954722
• SMILES: CC(=C)C(=O)OCC(CO)OC(=O)C(=C)C.CC(=C)C(=O)OCC(COC(=O)C(=C)C)O
• Canonical SMILES: OC(COC(=O)C(=C)C)COC(=O)C(=C)C.OCC(OC(=O)C(=C)C)COC(=O)C(=C)C
• InChI: InChI=1S/2C11H16O5/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)10(13)15-6-9(5-12)16-11(14)8(3)4/h2*9,12H,1,3,5-6H2,2,4H3
• InChIKey: YDASFTNANXDGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate 2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate
• IUPAC Traditional name: 1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate 2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate
• Synonyms: Glycerol dimethacrylate, mixture of isomers; 二甲基丙烯酸甘油酯，异构体混合物

Database IDs

• EC Number: 217-388-4
• PubChem SID: 24867309; 162241822
• PubChem CID: 71311291

CALCULATED PROPERTIES

• Acid pKa: 14.577148
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8135904
• LogD (pH = 7.4): 1.8135904
• Log P: 1.8135904
• Molar Refractivity: 56.8287 cm^3
• Polarizability: 22.71977 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120 °C/1 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.12 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.472(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 85%
• Grade: technical grade
• Contains: 200 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH[OR(H)]CH2OH(R), R = -COC(CH3)=CH2

DETAILS

Sigma Aldrich - 436895

Packaging
100, 500 mL in glass bottle