chempirical

Tributyl phosphate

C12H27O4PCAS 126-73-8266.32 g/mol

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OPOOO
Phosphate

Properties

Molecular formula
C12H27O4P
Molar mass
266.32 g/mol
Exact mass
266.1647 Da
Density
0.976 g/mL (at 25 °C)
Melting point
below −80 °C
Boiling point
177–178 °C (at 27 Torr)
Flash point
145 °C (closed cup)
Water solubility
280 mg/L (25 °C)
logP
4.54Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 015-014-00-2), via PubChem.

Precautionary statements

P203, P264, P270, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number
126-73-8
SMILES
CCCCOP(=O)(OCCCC)OCCCC
InChIKey
STCOOQWBFONSKY-UHFFFAOYSA-N
InChI
InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

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Names and synonyms

17 names · show all
  • Phosphoric acid tributyl ester
  • Butyl phosphate ((BuO)3PO)
  • Celluphos 4
  • Tri-n-butyl phosphate
  • TBP
  • Disflamoll TB
  • Tributoxyphosphine oxide
  • TBPA
  • Calloway 6814
  • NSC 8484
  • Phosflex 4
  • Phosphoric acid, tributyl ester
  • Degressal SD 40
  • Moussex 941PL
  • 941PL
  • X 8054
  • DL 1157

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 126-73-8. Each row opens the sheet with its composition and PDF.

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Work with Tributyl phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tris(2-butoxyethyl) phosphate78-51-378 % similar Tripropyl phosphate513-08-671 % similar Dibutyl phosphate107-66-458 % similar Dibutyl ether142-96-152 % similar Glycol dibutyl ether112-48-150 % similar Diethylene glycol dibutyl ether112-73-250 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-150 % similar Tris(2-ethylhexyl) phosphate78-42-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Triisobutyl phosphate126-71-6 Lauryl phosphate2627-35-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia