2-methylprop-2-enoic acid ethene methyl prop-2-enoate

• ChemBase ID: 138731
• Molecular Formular: C10H16O4
• Molecular Mass: 200.23164
• Monoisotopic Mass: 200.10485899
• SMILES: CC(=C)C(=O)O.COC(=O)C=C.C=C
• Canonical SMILES: OC(=O)C(=C)C.COC(=O)C=C.C=C
• InChI: InChI=1S/2C4H6O2.C2H4/c1-3-4(5)6-2;1-3(2)4(5)6;1-2/h3H,1H2,2H3;1H2,2H3,(H,5,6);1-2H2
• InChIKey: ZTIXDFSDTCGFGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-enoic acid ethene methyl prop-2-enoate
• IUPAC Traditional name: ethylene methacrylic acid methyl acrylate
• Synonyms: Poly(ethylene-co-vinyl acetate-co-methacrylic acid); 聚(乙烯-co-乙酸乙烯酯-co-甲基丙烯酸)

Database IDs

• MDL Number: MFCD00212551
• PubChem SID: 162232982
• PubChem CID: 45157498

CALCULATED PROPERTIES

• Acid pKa: 4.850526
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19176336
• LogD (pH = 7.4): -1.5789503
• Log P: 0.9284978
• Molar Refractivity: 21.6485 cm^3
• Polarizability: 8.399095 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.955 g/mL at 25 °C
• Transition Temperature: softening point 158 °C (ring and ball, ASTM E 28)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-46
• Safety Statements: 53-22-26-36/37/39-45

Product Information

• Contains: 200 ppm BHT as antioxidant
• Hardness: 80 (Shore A-2, ASTM D 2240)
• Acid Value: 4-8 mg KOH/g
• Melt Index: 6 g/10 min (190°C/2.16kg)

DETAILS

Sigma Aldrich - 426555

Application
Adhesion promoter to polar and non-porous substrates in hot melt systems.
Features and Benefits
High MW polymer for improved adhesion, tack and grease resistance in coatings.