tris(2H5)ethyl phosphate

• ChemBase ID: 136411
• Molecular Formular: C6H15O4P
• Molecular Mass: 182.154661
• Monoisotopic Mass: 182.07079559
• SMILES: CCOP(=O)(OCC)OCC
• Canonical SMILES: CCOP(=O)(OCC)OCC
• InChI: InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
• InChIKey: DQWPFSLDHJDLRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₅)ethyl phosphate
• IUPAC Traditional name: tris(^2H₅)ethyl phosphate
• Synonyms: Ethyl-d15 phosphate; TEP-d15; Triethyl-d15 phosphate

Database IDs

• MDL Number: MFCD08705044
• PubChem SID: 162230681
• PubChem CID: 71309788

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.1842022
• Log P: 1.1842022
• Molar Refractivity: 42.3446 cm^3
• Polarizability: 17.253616 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1842022

PROPERTIES

Physical Property

• Boiling Point: 215 °C(lit.)
• Density: 1.160 g/mL at 25 °C
• Mass Shift: M+15

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• Safety Statements: 25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 197.10 by atom % calculation
• Linear Formula: (C2D5O)3PO

DETAILS

Sigma Aldrich - 736252

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.