2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate

• ChemBase ID: 147613
• Molecular Formular: C9H16O4
• Molecular Mass: 188.22094
• Monoisotopic Mass: 188.10485899
• SMILES: CC(=C)C(=O)OCCOCCOC
• Canonical SMILES: COCCOCCOC(=O)C(=C)C
• InChI: InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3
• InChIKey: DAVVKEZTUOGEAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
• Synonyms: 2-(2-Methoxyethoxy)ethyl methacrylate; Di(ethylene glycol) methyl ether methacrylate; 2-(2-甲氧基乙氧基)甲基丙烯酸乙酯; 2-甲基-2-丙烯酸-2-(2-甲氧基乙氧基)乙酯

Database IDs

• CAS Number: 45103-58-0
• EC Number: 256-190-2
• MDL Number: MFCD00059330
• PubChem SID: 24868372; 162241800
• PubChem CID: 170752

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2137742
• LogD (pH = 7.4): 1.2137742
• Log P: 1.2137742
• Molar Refractivity: 48.5046 cm^3
• Polarizability: 19.253998 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98 °C/3.5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.02 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.44(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36/37
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Contains: 100 ppm hydroquinone monomethyl ether as inhibitor; 300 ppm butylated hydroxytoluene as inhibitor
• Linear Formula: H2C=C(CH3)CO2(CH2CH2O)2CH3

DETAILS

Sigma Aldrich - 447927

Packaging
100, 500 mL in poly bottle