2-hydroxy-3-(prop-2-enoyloxy)propyl 2-methylprop-2-enoate

• ChemBase ID: 144964
• Molecular Formular: C10H14O5
• Molecular Mass: 214.21516
• Monoisotopic Mass: 214.08412355
• SMILES: CC(=C)C(=O)OCC(COC(=O)C=C)O
• Canonical SMILES: C=CC(=O)OCC(COC(=O)C(=C)C)O
• InChI: InChI=1S/C10H14O5/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3/h4,8,11H,1-2,5-6H2,3H3
• InChIKey: ZODNDDPVCIAZIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-(prop-2-enoyloxy)propyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-hydroxy-3-(prop-2-enoyloxy)propyl 2-methylprop-2-enoate
• Synonyms: 3-(Acryloyloxy)-2-hydroxypropyl methacrylate; 3-(Acryloyloxy)-2-hydroxypropyl methacrylate; 2-丙烯酸-2-羟基-1,3-丙二酯

Database IDs

• CAS Number: 1709-71-3
• MDL Number: MFCD00274303
• PubChem SID: 162239176; 24869003
• PubChem CID: 5062351

CALCULATED PROPERTIES

• Acid pKa: 13.629978
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4180399
• LogD (pH = 7.4): 1.4180397
• Log P: 1.4180399
• Molar Refractivity: 52.4716 cm^3
• Polarizability: 20.89325 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.14 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.473(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38-41-43
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H318
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%
• Contains: 200 ppm monomethyl ether hydroquinone as inhibitor; 350 ppm BHT as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH(OH)CH2O2CCH=CH2

DETAILS

Sigma Aldrich - 454982

Packaging
100, 500 mL in poly bottle