tributyl phosphite

• ChemBase ID: 145707
• Molecular Formular: C12H27O3P
• Molecular Mass: 250.314741
• Monoisotopic Mass: 250.16978135
• SMILES: CCCCOP(OCCCC)OCCCC
• Canonical SMILES: CCCCOP(OCCCC)OCCCC
• InChI: InChI=1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
• InChIKey: XTTGYFREQJCEML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl phosphite
• IUPAC Traditional name: tributyl phosphite
• Synonyms: Tributyl phosphite; Tri-n-butyl phosphite; 亚磷酸三丁酯; 亚磷酸三正丁酯

Database IDs

• CAS Number: 102-85-2
• EC Number: 203-061-3
• MDL Number: MFCD00009437
• Beilstein Number: 1703866
• PubChem SID: 24862021; 162239910
• PubChem CID: 7623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5280986
• LogD (pH = 7.4): 4.5281
• Log P: 4.5281
• Molar Refractivity: 69.5975 cm^3
• Polarizability: 27.632677 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80°C
• Boiling Point: 118-125 °C/7 mmHg(lit.); 125-128°C/10mm
• Flash Point: 208.4 °F; 82°C(179°F); 98 °C
• Density: 0.915; 0.925 g/mL at 25 °C(lit.)
• Refractive Index: 1.4320; n20/D 1.431(lit.); n20/D 1.432

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: TH0875000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21-34; 21-36/38
• Safety Statements: 26-36/37/39-45; 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H314; H312-H315-H319-H227-H303
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 3

Product Information

• Purity: ≥95% (GC); 90%; 94%
• Grade: technical; technical grade
• Linear Formula: [CH3(CH2)3O]3P

DETAILS

Sigma Aldrich - 361143

Packaging
250 mL in glass bottle