2-{2,2-dimethyl-3-[2-(prop-2-enoyloxy)ethoxy]propoxy}ethyl prop-2-enoate

• ChemBase ID: 137225
• Molecular Formular: C15H24O6
• Molecular Mass: 300.34746
• Monoisotopic Mass: 300.15728849
• SMILES: CC(C)(COCCOC(=O)C=C)COCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCOCC(COCCOC(=O)C=C)(C)C
• InChI: InChI=1S/C15H24O6/c1-5-13(16)20-9-7-18-11-15(3,4)12-19-8-10-21-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3
• InChIKey: INUDJRSLTKAYBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,2-dimethyl-3-[2-(prop-2-enoyloxy)ethoxy]propoxy}ethyl prop-2-enoate
• IUPAC Traditional name: 2-{2,2-dimethyl-3-[2-(prop-2-enoyloxy)ethoxy]propoxy}ethyl prop-2-enoate
• Synonyms: Neopentyl glycol ethoxylate (1 EO/OH) diacrylate; 新戊二醇乙氧基化物 (1 EO/OH) 二丙烯酸

Database IDs

• CAS Number: 62180-73-8
• MDL Number: MFCD00192344
• PubChem SID: 162231490
• PubChem CID: 4049344

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5905082
• LogD (pH = 7.4): 2.5905082
• Log P: 2.5905082
• Molar Refractivity: 77.8637 cm^3
• Polarizability: 30.840912 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.041 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.456(lit.)
• Vapor Pressure: 0.02 mmHg ( 25 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-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

Product Information

• Contains: 300 ppm monomethyl ether hydroquinone as inhibitor
• Mol. Weight: average Mn ~300
• Linear Formula: [H2C=CHCO2(CH2CH2O)nCH2]2C(CH3)2