Dibutyl phosphate

CAT: 0804-HY-135604-02Size: 500 gDry Ice: NoHazardous: No

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CAT#:0804-HY-135604-02Size:500 g

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Description

Dibutyl phosphate (DBUP) is a urinary metabolite of organophosphate esters (OPEs) . Dibutyl phosphate is positively correlated with an increased risk of sarcopenia[1][2][3].

CAS Number

107-66-4

Product Name Alternative

DBUP

UNSPSC

12352211

Hazard Statement

H314, H351

Target

Drug Metabolite

Related Pathways

Metabolic Enzyme/Protease

Field of Research

Metabolic Disease

Purity

97.0

Solubility

DMSO : 200 mg/mL (ultrasonic)

Smiles

O=P(OCCCC)(O)OCCCC

Molecular Formula

C8H19O4P

Molecular Weight

210.21

Precautions

H314, H351

References & Citations

[1]Wu YJ, et al. Dipeptidyl peptidase-4 inhibitor, vildagliptin, inhibits pancreatic beta cell apoptosis in associationwith its effects suppressing endoplasmic reticulum stress in db/db mice. Metabolism. 2015 Feb;64 (2) :226-35.|[2]Villhauer EB, et al. 1-[[ (3-hydroxy-1-adamantyl) amino]acetyl]-2-cyano- (S) -pyrrolidine: a potent, selective, and orally bioavailable dipeptidyl peptidase IV inhibitor with antihyperglycemic properties. J Med Chem. 2003 Jun 19;46 (13) :2774-89.|[3]Nan W, Peng Z, Yi T, Ouyang M, Hu J. Association between exposure to organophosphate esters metabolites and sarcopenia prevalence: A cross-sectional study using NHANES data. Ecotoxicol Environ Saf. 2024 Oct 15;285:117041.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound2

Clinical Information

No Development Reported

Chemical Information

Dibutyl phosphate

Dibutyl phosphate is a dialkyl phosphate.

CAS Number	107-66-4
PubChem CID	7881
IUPAC Name	dibutyl hydrogen phosphate
Molecular Formula	C8H19O4P
Molecular Weight	210.21
XLogP	1.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	146

SMILES

CCCCOP(=O)(O)OCCCC

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

Chemical Structure

2D Structure

CAS: 107-66-4

CID: 7881

Formula: C8H19O4P

MW: 210.21

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	210.21
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	210.10209608
Monoisotopic Mass	210.10209608
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-D429520-250G	Dibutyl Phosphate
446644-01	Dibutyl Phosphate-d18
TRC-D429478-250MG	Dibutyl Phenyl Phosphate
TRC-T773430-100MG	Tributylmethylammonium Dibutyl Phosphate
sc-237266	Tributylmethylphosphonium dibutyl phosphate
OR1006848-01	Tetrabutylammonium dibutyl phosphate
sc-237306	Triethylmethylphosphonium dibutyl phosphate
sc-507187	Triethylmethylammonium dibutyl phosphate
OR1012831-01	Dibutyl hydrogen phosphate

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Chemical Information

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