tripropyl phosphate

• ChemBase ID: 123430
• Molecular Formular: C9H21O4P
• Molecular Mass: 224.234401
• Monoisotopic Mass: 224.11774578
• SMILES: P(=O)(OCCC)(OCCC)OCCC
• Canonical SMILES: CCCOP(=O)(OCCC)OCCC
• InChI: InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
• InChIKey: RXPQRKFMDQNODS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tripropyl phosphate
• IUPAC Traditional name: tripropyl phosphate
• Synonyms: tripropyl phosphate; Tripropyl phosphate; 磷酸三丙酯

Database IDs

• CAS Number: 513-08-6
• EC Number: 208-151-6
• MDL Number: MFCD00009368
• PubChem SID: 24855414; 162217783
• PubChem CID: 10546

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7517693
• LogD (pH = 7.4): 2.7517693
• Log P: 2.7517693
• Molar Refractivity: 55.9166 cm^3
• Polarizability: 22.723223 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122 °C/10 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.012 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.416(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 99%
• Linear Formula: (CH3CH2CH2O)3P(O)

DETAILS

Sigma Aldrich - 255327

Packaging
5, 25 g in glass bottle