1-(dimethylphosphoryl)dodecane

• ChemBase ID: 156669
• Molecular Formular: C14H31OP
• Molecular Mass: 246.369101
• Monoisotopic Mass: 246.21125224
• SMILES: CCCCCCCCCCCC[P+](C)(C)[O-]
• Canonical SMILES: CCCCCCCCCCCC[P+](C)(C)[O-]
• InChI: InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
• InChIKey: SIDULKZCBGMXJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylphosphoryl)dodecane
• IUPAC Traditional name: 1-(dimethylphosphoryl)dodecane
• Synonyms: APO-12; Dimethyldodecylphosphine oxide; Dodecyldimethylphosphine oxide

Database IDs

• CAS Number: 871-95-4
• EC Number: 212-818-7
• MDL Number: MFCD01092560
• PubChem SID: 24865065; 162250806
• PubChem CID: 13380

CALCULATED PROPERTIES

• Acid pKa: 12.0013275
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.664844
• LogD (pH = 7.4): 3.6648333
• Log P: 3.664844
• Molar Refractivity: 74.9676 cm^3
• Polarizability: 29.941437 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 260 nm Amax: 0.2; λ: 280 nm Amax: 0.2
• Critical Micelle Concentration: 0.568 mM(20-25°C)
• Aggregation Number of Micelle: 2232

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥96% (GC)
• Description: non-ionic
• Mol. Weight: micellar avg mol wt 549,965
• λ: 1 % in H2O
• Linear Formula: CH3(CH2)11P(O)(CH3)2

DETAILS

Sigma Aldrich - 40223

Application
Non-ionic detergent for the purification, extraction and solubilization of membrane-bound proteins in the native structure. It is stable in water and easily removable by dialysis. Useful for plasmid DNA isolation.1