(dodecyloxy)phosphonic acid

• ChemBase ID: 302260
• Molecular Formular: C12H27O4P
• Molecular Mass: 266.314141
• Monoisotopic Mass: 266.16469597
• SMILES: CCCCCCCCCCCCOP(=O)(O)O
• Canonical SMILES: CCCCCCCCCCCCOP(=O)(O)O
• InChI: InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
• InChIKey: TVACALAUIQMRDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecyloxy)phosphonic acid
• IUPAC Traditional name: dodecyloxyphosphonic acid
• Synonyms: mono-Lauryl phosphate; Phosphoric acid monododecyl ester; mono-n-Dodecyl phosphate; 单正十二烷基磷酸酯

Database IDs

• CAS Number: 2627-35-2
• EC Number: 220-095-4
• MDL Number: MFCD00013946
• Beilstein Number: 1710518

CALCULATED PROPERTIES

• Acid pKa: 1.8086363
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8626685
• LogD (pH = 7.4): 1.1968102
• Log P: 4.238305
• Molar Refractivity: 69.8158 cm^3
• Polarizability: 27.726118 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-45°C

Safety Information

• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: tech. 90%