Results for:
PubChem ID: 31357

Tributyl Phosphate

Compound Details

Synonymous names
TRIBUTYL PHOSPHATE
126-73-8
Tri-n-butyl phosphate
Tributylphosphate
Butyl phosphate
Phosphoric acid tributyl ester
Tributylphosphat
Celluphos 4
Disflamoll TB
Phosphoric acid, tributyl ester
tbpa
Tributilfosfato
Tributylfosfaat
Tributyle (phosphate de)
Butyl phosphate, tri-
Tributoxyphosphine oxide
Tributylfosfat
Butyl phosphate, ((BuO)3PO)
Phosphoric acid tri-n-butyl ester
NSC 8484
DTXSID3021986
95UAS8YAF5
CHEBI:35019
NSC-8484
Tri-N-butylphosphate
DTXCID701986
Tributylfosfat [Czech]
Tributylfosfaat [Dutch]
Tributilfosfato [Italian]
Tributylphosphat [German]
CAS-126-73-8
TNBP
CCRIS 6106
HSDB 1678
Tributyle (phosphate de) [French]
MCS 2495
EINECS 204-800-2
Tri-n-butyl phosphate; Phosphoric acid tributyl ester
UNII-95UAS8YAF5
BRN 1710584
AI3-00399
Tributylphsophate
Kronitex TBP
Tributyl ester of phosphoric acid
Tributyle(phosphate de)
tris(1-butyl) phosphate
Tributyl phosphate, 97%
Tributyl phosphate, 99%
bmse000777
EC 204-800-2
Tributyl phosphate 10 microg/mL in Cyclohexane
Tributyl Phosphate 1000 microg/mL in Methanol
Syn-O-Ad 8412
SCHEMBL18570
Tributyl phosphate, >=99%
4-01-00-01531 (Beilstein Handbook Reference)
BIDD:ER0345
TRIBUTYL PHOSPHATE [MI]
CHEMBL1371096
NSC8484
TRIBUTYL PHOSPHATE [HSDB]
Phosphoric acid, tri-n-butyl ester
Tox21_201872
Tox21_300107
MFCD00009436
WLN: 4OPO & O4 & O4
AKOS015995460
MCULE-3436505303
TRI-N-BUTYL PHOSPHATE [MART.]
Tributyl phosphate, analytical standard
NCGC00091588-01
NCGC00091588-02
NCGC00091588-03
NCGC00091588-04
NCGC00254202-01
NCGC00259421-01
NS00010255
P0266
TRI-N-BUTYL PHOSPHATE [EP MONOGRAPH]
Tributyl phosphate, puriss., >=99.0% (GC)
Tributyl phosphate, SAJ first grade, >=99.0%
Tributyl phosphate, Selectophore(TM), >=98.0%
A805594
Q613394
J-005429
F1905-7225
Tributyl phosphate, 10 mug/mL in hexane, analytical standard
Tri-n-butyl phosphate, European Pharmacopoeia (EP) Reference Standard
Tributyl phosphate, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H
Microorganism:

Yes

IUPAC nametributyl phosphate
SMILESCCCCOP(=O)(OCCCC)OCCCC
InchiInChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
FormulaC12H27O4P
PubChem ID31357
Molweight266.31
LogP2.9
Atoms17
Bonds12
H-bond Acceptor4
H-bond Donor0
Chemical Classificationphosphorus compounds
CHEBI-ID35019
Supernatural-IDSN0354582

mVOC Specific Details

Boiling Point
DegreeReference
289 °C peer reviewed
Volatilization
The Henry's Law constant for tributyl phosphate is estimated as 1.4X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 1.13X10-3 mm Hg(1), and water solubility, 280 mg/L(2). This Henry's Law constant indicates that tributyl phosphate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 40 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 300 days(SRC). Tributyl phosphate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Tributyl phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of tributyl phosphate can be estimated to be 2400(SRC). According to a classification scheme(2), this estimated Koc value suggests that tributyl phosphate is expected to have slight mobility in soil.
Massbank-Links
Massbank Spectrum MSBNK-Antwerp_Univ-AN118201
Massbank Spectrum MSBNK-Antwerp_Univ-AN118202
Massbank Spectrum MSBNK-Antwerp_Univ-AN118203
Massbank Spectrum MSBNK-Antwerp_Univ-AN118204
Massbank Spectrum MSBNK-Antwerp_Univ-AN118205
Massbank Spectrum MSBNK-Antwerp_Univ-AN118206
Massbank Spectrum MSBNK-Antwerp_Univ-AN118207
Massbank Spectrum MSBNK-Antwerp_Univ-AN118208
Massbank Spectrum MSBNK-Antwerp_Univ-AN118209
Massbank Spectrum MSBNK-Antwerp_Univ-AN118210
Massbank Spectrum MSBNK-Antwerp_Univ-AN118211
Massbank Spectrum MSBNK-Antwerp_Univ-AN118212
Massbank Spectrum MSBNK-Antwerp_Univ-AN118213
Massbank Spectrum MSBNK-Antwerp_Univ-AN118214
Massbank Spectrum MSBNK-Antwerp_Univ-AN118215
Massbank Spectrum MSBNK-BAFG-CSL23111014491
Massbank Spectrum MSBNK-BAFG-CSL23111014492
Massbank Spectrum MSBNK-BAFG-CSL23111014493
Massbank Spectrum MSBNK-BAFG-CSL23111014494
Massbank Spectrum MSBNK-BAFG-CSL23111014495
Massbank Spectrum MSBNK-BAFG-CSL23111014496
Massbank Spectrum MSBNK-BAFG-CSL23111014497
Massbank Spectrum MSBNK-BAFG-CSL23111014498
Massbank Spectrum MSBNK-BAFG-CSL23111014499
Massbank Spectrum MSBNK-BAFG-CSL23111014500
Massbank Spectrum MSBNK-BAFG-CSL23111014501
Massbank Spectrum MSBNK-BAFG-CSL23111014502
Massbank Spectrum MSBNK-BAFG-CSL23111014503
Massbank Spectrum MSBNK-BAFG-CSL23111014504
Massbank Spectrum MSBNK-BAFG-CSL23111014505
Massbank Spectrum MSBNK-BAFG-CSL23111014506
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003363
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003581
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006068

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNACeleiro et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaSPME/GC-MSno