ethene lithio 2-methylprop-2-enoate

• ChemBase ID: 138574
• Molecular Formular: C6H9LiO2
• Molecular Mass: 120.07546
• Monoisotopic Mass: 120.07625908
• SMILES: [Li]OC(=O)C(=C)C.C=C
• Canonical SMILES: [Li]OC(=O)C(=C)C.C=C
• InChI: InChI=1S/C4H6O2.C2H4.Li/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1-2H2;/q;;+1/p-1
• InChIKey: XPDDQPCUZGXWKZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethene lithio 2-methylprop-2-enoate
• IUPAC Traditional name: ethylene lithio 2-methylprop-2-enoate
• Synonyms: Poly(ethylene-co-methacrylic acid) lithium salt; 聚(乙烯-co-甲基丙烯酸) 锂盐

Database IDs

• MDL Number: MFCD00212546
• PubChem SID: 162232827; 24866721
• PubChem CID: 16212778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6736
• LogD (pH = 7.4): 1.6736
• Log P: 1.6736
• Molar Refractivity: 20.7209 cm^3
• Polarizability: 9.746839 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 °C(lit.)
• Density: 0.94 g/mL at 25 °C(lit.)
• Transition Temperature: softening point 63 °C (Vicat, ASTM D 1525-70)

Safety Information

• German water hazard class: 3

Product Information

• Compostion: methacrylic acid, 15 wt. %
• Hardness: 68 (Shore D)
• tensile impact: 460 kJ/m2± (23°C)(ASTM D 1822S)
• Linear Formula: (-CH2CH2-)x[-CH2C(CH3)(CO2R)-]y, R = H or Li
• Melt Index: 2.6 g/10 min (190 °C/2.16kg)

DETAILS

Sigma Aldrich - 426709

Application
Golf ball covers, auto rub strips, athletic shoe soles, ski boots and cosmetic packaging.
Features and Benefits
Excellent impact strength and optical properties. Foamable, abrasion and solvent resistant and exhibits adhesion to various materials.