dibutoxyphosphinic acid

• ChemBase ID: 108631
• Molecular Formular: C8H19O4P
• Molecular Mass: 210.207821
• Monoisotopic Mass: 210.10209572
• SMILES: CCCCOP(=O)(O)OCCCC
• Canonical SMILES: CCCCOP(=O)(OCCCC)O
• InChI: InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
• InChIKey: JYFHYPJRHGVZDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutoxyphosphinic acid
• IUPAC Traditional name: di-N-butyl phosphate
• Synonyms: Di-n-butyl phosphate; DI-n-BUTYL PHOSPHATE TECHNICAL GRADE; Phosphoric acid dibutyl ester; Dibutyl phosphate; 磷酸二正丁酯; 二丁基磷酸盐; 磷酸二丁酯

Database IDs

• CAS Number: 107-66-4
• EC Number: 203-509-8
• MDL Number: MFCD00015245
• Beilstein Number: 607224
• PubChem SID: 24861550; 162094401
• PubChem CID: 7881

CALCULATED PROPERTIES

• Acid pKa: 1.94101
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.034722295
• LogD (pH = 7.4): 0.0075742826
• Log P: 2.3836157
• Molar Refractivity: 51.3637 cm^3
• Polarizability: 20.657604 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -13°C
• Boiling Point: 250°C
• Flash Point: 157 °C; 157°C(315°F); 314.6 °F
• Density: 1.058; 1.06 g/mL at 20 °C(lit.)
• Refractive Index: 1.428; n20/D 1.428

Safety Information

• RTECS: TB9605000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN1718
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 37/38-41; R:34
• Safety Statements: 26-36/37/39-45; 26-39; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318; H315-H318-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (T); 96%
• Grade: purum; TECHNICAL
• Linear Formula: (CH3CH2CH2CH2O)2P(O)OH

DETAILS

Sigma Aldrich - 68572

Other Notes
Printing link to product rebranding statement
This former Fluka product is now being offered as Aldrich brand product. During the transition, you still may receive the Fluka product. The rebranding has no impact on product performance or quality.
Packaging
1 L in glass bottle
250 mL in glass bottle