bmse000777 Tributyl Phosphate at BMRB

Tributyl Phosphate

TBP; Tributylphosphat; Butyl phosphate; Tributylphosphate; Tributyle (phosphate de); Phosphoric acid tri-n-butyl ester; Phosphoric acid, tributyl ester; Tri-n-butyl phosphate; Tributyl phosphate

Molecular Formula: C12 H27 O4 P
Natural Isotopic Abundance Mass: 266.314141
Mono-Isotopic Molecular Masses: C12N14: 266.1646958651; C13N14: 278.2049539187; C12N15: 266.1646958651; C13N15: 278.2049539187

Tributyl Phosphate

InCHi String:
InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

canonical and isomeric SMILES:
CCCCOP(=O)(OCCCC)OCCCC

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
tributyl phosphate

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac CAS NAME
phosphoric acid tributyl ester

PubChem Substance (SID):   111677902   24844935   10506168
PubChem Compound (CID):   31357
KEGG: Compound ID   C14439
CAS Registry IDs:   126-73-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MDL MFCD00009436   CAS 126-73-8   MMCD cq_10277   Sigma-Aldrich 00675_FLUKA   ChEBI CHEBI:35019   EPA DSSTox 34066   ChemDB 3969627   BIDD BIDD:ER0345   NIST Chemistry WebBook 2623568929

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.