2-(2-ethoxyethoxy)ethyl prop-2-enoate

• ChemBase ID: 146619
• Molecular Formular: C9H16O4
• Molecular Mass: 188.22094
• Monoisotopic Mass: 188.10485899
• SMILES: CCOCCOCCOC(=O)C=C
• Canonical SMILES: CCOCCOCCOC(=O)C=C
• InChI: InChI=1S/C9H16O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3H,1,4-8H2,2H3
• InChIKey: FTALTLPZDVFJSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyethoxy)ethyl prop-2-enoate
• IUPAC Traditional name: 2-(2-ethoxyethoxy)ethyl prop-2-enoate
• Synonyms: 2-(2-Ethoxyethoxy)ethyl acrylate; Di(ethylene glycol) ethyl ether acrylate; 2-(2-乙氧基乙氧基)乙基丙烯酸酯; 二乙二醇乙醚丙烯酸酯

Database IDs

• CAS Number: 7328-17-8
• EC Number: 230-811-7
• MDL Number: MFCD00015655
• PubChem SID: 24865557; 162240813
• PubChem CID: 81766

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1750317
• LogD (pH = 7.4): 1.1750317
• Log P: 1.1750317
• Molar Refractivity: 48.8961 cm^3
• Polarizability: 19.253998 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95 °C/5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.016 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.439(lit.)

Safety Information

• RTECS: UD3343500
• 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

Product Information

• Purity: ≥90%
• Grade: technical grade
• Contains: 1000 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=CHCO2(CH2CH2O)2C2H5

DETAILS

Sigma Aldrich - 408298

Packaging
1 L in glass bottle
250 mL in poly bottle