chempirical

Triisobutyl phosphate

C12H27O4PCAS 126-71-6266.32 g/mol

Open in Covalent MOL file
OPOOO
Phosphate

Properties

Molecular formula
C12H27O4P
Molar mass
266.32 g/mol
Exact mass
266.1647 Da
Density
0.9617 g/mL (at 25 °C)
Boiling point
264 °C
logP
4.11Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from 450 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
126-71-6
SMILES
CC(C)COP(=O)(OCC(C)C)OCC(C)C
InChIKey
HRKAMJBPFPHCSD-UHFFFAOYSA-N
InChI
InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3

Weigh it out

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Names and synonyms

7 names
  • Phosphoric acid, tris(2-methylpropyl) ester
  • Phosphoric acid, triisobutyl ester
  • Isobutyl phosphate ((C4H9O)3PO)
  • Antifoam TIP
  • NSC 62222
  • Daiguard 400
  • Reomol TIBP

Work with Triisobutyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tris(2-chloropropyl) phosphate6145-73-956 % similar Tripropyl phosphate513-08-646 % similar Triethyl phosphate78-40-043 % similar Tris(2,3-dibromopropyl) phosphate126-72-743 % similar Tris(2-ethylhexyl) phosphate78-42-242 % similar Diisobutyl carbonate539-92-438 % similar Isobutyl formate542-55-238 % similar Isobutyl nitrite542-56-338 % similar

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

Same formula

Tributyl phosphate126-73-8 Lauryl phosphate2627-35-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook