2-ethoxyethyl prop-2-enoate

• ChemBase ID: 137440
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: CCOCCOC(=O)C=C
• Canonical SMILES: CCOCCOC(=O)C=C
• InChI: InChI=1S/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3
• InChIKey: FWWXYLGCHHIKNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyethyl prop-2-enoate
• IUPAC Traditional name: 2-ethoxyethyl acrylate
• Synonyms: Ethylene glycol monoethyl ether acrylate; 2-Ethoxyethyl acrylate; 乙二醇单乙醚丙烯酸酯; 2-乙氧基乙基丙烯酸酯

Database IDs

• CAS Number: 106-74-1
• EC Number: 203-429-3
• MDL Number: MFCD00042888
• Beilstein Number: 1756600
• PubChem SID: 24865559; 162231702
• PubChem CID: 7827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2220072
• LogD (pH = 7.4): 1.2220072
• Log P: 1.2220072
• Molar Refractivity: 37.8526 cm^3
• Polarizability: 14.862389 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78 °C/23 mmHg(lit.)
• Flash Point: 150.8 °F; 66 °C
• Density: 0.982 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.427(lit.)

Safety Information

• RTECS: AS9800000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 2810
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-28-61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2

Product Information

• Purity: 98%
• Contains: 50 ppm hydroquinone monomethyl ether as inhibitor
• Linear Formula: CH2=CHCOOCH2CH2OC2H5