ethane-1,2-diol; prop-2-enoic acid

• ChemBase ID: 111867
• Molecular Formular: C5H10O4
• Molecular Mass: 134.1305
• Monoisotopic Mass: 134.0579088
• SMILES: OCCO.OC(=O)C=C
• Canonical SMILES: C=CC(=O)O.OCCO
• InChI: InChI=1S/C3H4O2.C2H6O2/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H,4,5);3-4H,1-2H2
• InChIKey: FCDZZFLRLVQGEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-diol; prop-2-enoic acid
• IUPAC Traditional name: acrylic acid; ethylene glycol
• Synonyms: POLYETHYLENE GLYCOL DIACRYLATE; Poly(ethylene glycol) acrylate; 聚乙二醇丙烯酸酯

Database IDs

• CAS Number: 9051-31-4; 26570-48-9
• MDL Number: MFCD00803834
• PubChem SID: 162097125; 24870615
• PubChem CID: 16212859

CALCULATED PROPERTIES

• Acid pKa: 4.7158084
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.31655344
• LogD (pH = 7.4): -2.0941725
• Log P: 0.5329473
• Molar Refractivity: 17.2914 cm^3
• Polarizability: 6.5794563 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.12 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.466(lit.)
• Viscosity: 42 cSt(25 °C)(lit.)

Safety Information

• European Hazard Symbols: Toxic (T); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:25
• Safety Statements: 26-36; S:28-36/37/39-45-53
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Contains: 1,000-1,500 ppm MEHQ as inhibitor
• Mol. Weight: average Mn ~375
• Linear Formula: H2C=CHCO(OCH2CH2)nOH

DETAILS

MP Biomedicals - 05221440

MP Biomedicals Rare Chemical collection