2-hydroxyethyl prop-2-enoate

• ChemBase ID: 145982
• Molecular Formular: C5H8O3
• Molecular Mass: 116.11522
• Monoisotopic Mass: 116.04734412
• SMILES: C=CC(=O)OCCO
• Canonical SMILES: OCCOC(=O)C=C
• InChI: InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2
• InChIKey: OMIGHNLMNHATMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyethyl prop-2-enoate
• IUPAC Traditional name: 2-hydroxyethyl acrylate
• Synonyms: Ethylene glycol monoacrylate; 2-Hydroxyethyl acrylate; Acrylic acid 2-hydroxyethyl ester; 乙二醇单丙烯酸酯; 2-羟基乙基丙烯酸酯; 2-羟基乙基 丙烯酸酯

Database IDs

• CAS Number: 818-61-1
• EC Number: 212-454-9
• MDL Number: MFCD00002865
• Beilstein Number: 969853
• PubChem SID: 162240182; 24857612
• PubChem CID: 13165

CALCULATED PROPERTIES

• Acid pKa: 15.095938
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22207268
• LogD (pH = 7.4): 0.22207266
• Log P: 0.22207268
• Molar Refractivity: 28.3528 cm^3
• Polarizability: 11.139329 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-60°C
• Boiling Point: 192°C; 90-92 °C/12 mmHg(lit.)
• Flash Point: 101°C(214°F); 206.6 °F; 97 °C
• Density: 1.011 g/mL at 25 °C(lit.); 1.106
• Refractive Index: 1.4500; n20/D 1.45(lit.)
• Vapor Pressure: <0.1 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Warning: Light Sensitive
• RTECS: AT1750000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2922; UN2927
• German water hazard class: 2
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Risk Statements: 24-34-43-50
• Safety Statements: 26-36/39-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H311-H314-H317-H400; H311-H317-H314-H400
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%; 97%, stab. with 200-300ppm 4-methoxyphenol
• Contains: 200-650 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH2=CHCOOCH2CH2OH

DETAILS

Sigma Aldrich - 292818

Packaging
1 L in glass bottle
18 L in comp drum
250 mL in glass bottle