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

• ChemBase ID: 138877
• Molecular Formular: C9H14O4
• Molecular Mass: 186.20506
• Monoisotopic Mass: 186.08920893
• SMILES: COC(=O)C=C.C=C.C=CC(=O)O
• Canonical SMILES: COC(=O)C=C.C=CC(=O)O.C=C
• InChI: InChI=1S/C4H6O2.C3H4O2.C2H4/c1-3-4(5)6-2;1-2-3(4)5;1-2/h3H,1H2,2H3;2H,1H2,(H,4,5);1-2H2
• InChIKey: HUWKYPGRHYMWMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethene prop-2-enoic acid methyl prop-2-enoate
• IUPAC Traditional name: acrylic acid ethylene methyl acrylate
• Synonyms: Poly(ethylene-co-methyl acrylate-co-acrylic acid); 聚(乙烯-co-丙烯酸甲酯-co-丙烯酸)

Database IDs

• CAS Number: 41525-41-1
• MDL Number: MFCD00217718
• PubChem SID: 162233128
• PubChem CID: 6451760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9121747
• LogD (pH = 7.4): 0.9121747
• Log P: 0.9121747
• Molar Refractivity: 22.0605 cm^3
• Polarizability: 8.640089 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: pellets
• Density: 0.942 g/mL at 25 °C
• Transition Temperature: softening point 60 °C (Vicat, 200g load, ASTM D 1525); Tm 65 °C (DSC, peak)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Contains: 500 ppm antioxidant
• Hardness: 21 (Shore D, ASTM D 2240)
• Feed ratio: 74:20:6 (ethylene:methyl acrylate:acrylic acid)
• Acid Value: 45 mg KOH/g
• Melt Index: 20 g/10 min (190°C/2.16kg)

DETAILS

Sigma Aldrich - 432695

Application
Improves adhesion to metals, synthetic fibers and paints when used as a component of rubber compounds, thermoplastic olefins or adhesive sealants. Particularly good adhesion to polypropylene and metals. Extrusion laminating applications, e.g., OPP to aluminum foil.