(diethylphosphoryl)ethane

• ChemBase ID: 151593
• Molecular Formular: C6H15OP
• Molecular Mass: 134.156461
• Monoisotopic Mass: 134.08605173
• SMILES: CCP(=O)(CC)CC
• Canonical SMILES: CCP(=O)(CC)CC
• InChI: InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
• InChIKey: ZSSWXNPRLJLCDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethylphosphoryl)ethane
• IUPAC Traditional name: (diethylphosphoryl)ethane
• Synonyms: Triethylphosphine oxide; 三乙基氧膦

Database IDs

• CAS Number: 597-50-2
• MDL Number: MFCD00013914
• PubChem SID: 162245745; 24880030
• PubChem CID: 79061

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.49452892
• LogD (pH = 7.4): -0.49452892
• Log P: -0.49452892
• Molar Refractivity: 38.4762 cm^3
• Polarizability: 15.057087 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 48-50°C; 48-52 °C(lit.)

Safety Information

• RTECS: SZ1640000
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (C2H5)3PO

DETAILS

Sigma Aldrich - 562394

Packaging
1 g in glass bottle