diethyl prop-2-en-1-yl phosphate

• ChemBase ID: 145252
• Molecular Formular: C7H15O4P
• Molecular Mass: 194.165361
• Monoisotopic Mass: 194.07079559
• SMILES: CCOP(=O)(OCC)OCC=C
• Canonical SMILES: CCOP(=O)(OCC)OCC=C
• InChI: InChI=1S/C7H15O4P/c1-4-7-11-12(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
• InChIKey: GZNJJEODYYLYSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl prop-2-en-1-yl phosphate
• IUPAC Traditional name: diethyl prop-2-en-1-yl phosphate
• Synonyms: Diethyl allyl phosphate; 磷酸烯丙基二乙酯

Database IDs

• CAS Number: 3066-75-9
• MDL Number: MFCD02683550
• PubChem SID: 162239460; 24874513
• PubChem CID: 229774

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.558644
• LogD (pH = 7.4): 1.558644
• Log P: 1.558644
• Molar Refractivity: 46.7587 cm^3
• Polarizability: 18.822418 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 45-46 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.09 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.422(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: H2C=CHCH2OP(O)(OC2H5)2

DETAILS

Sigma Aldrich - 525855

Packaging
5 g in glass bottle