ethenol

• ChemBase ID: 107017
• Molecular Formular: C2H4O
• Molecular Mass: 44.05256
• Monoisotopic Mass: 44.02621475
• SMILES: OC=C
• Canonical SMILES: OC=C
• InChI: InChI=1S/C2H4O/c1-2-3/h2-3H,1H2
• InChIKey: IMROMDMJAWUWLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenol
• IUPAC Traditional name: vinyl alcohol
• Synonyms: PVA; Ethenol Homopolymer; Elvanol; Gelvatols; POLYVINYL ALCOHOL; Polyvinyl alcohol; Hydroxyethene; Hydroxyethylene; Vinyl alcohol; 聚乙烯醇

Database IDs

• CAS Number: 9002-89-5; 557-75-5
• MDL Number: MFCD00081922
• PubChem SID: 162093202
• PubChem CID: 11199
• CHEMBL: 76101
• Chemspider ID: 10726
• Wikipedia Title: Vinyl_alcohol

CALCULATED PROPERTIES

• Acid pKa: 10.3090725
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5163897
• LogD (pH = 7.4): 0.5158615
• Log P: 0.51639646
• Molar Refractivity: 11.9535 cm^3
• Polarizability: 4.7918406 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder; Solid
• Density: 1.25 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TR8101000
• TSCA Listed: 是

Product Information

• Purity: 86-89% hydrolyzed, low molecular weight; 86-89% hydrolyzed, medium molecular weight; 87-89% hydrolyzed, high molecular weight; 98-99% hydrolyzed, high molecular weight; 98-99% hydrolyzed, low molecular weight; 98-99% hydrolyzed, medium molecular weight