Diethyl Hydrogen Phosphate - CAS 598-02-7
Catalog: |
BB030507 |
Product Name: |
Diethyl Hydrogen Phosphate |
CAS: |
598-02-7 |
Synonyms: |
diethyl hydrogen phosphate; diethyl hydrogen phosphate |
IUPAC Name: | diethyl hydrogen phosphate |
Description: | Diethyl Hydrogen Phosphate (CAS# 598-02-7) is an organophosphate that is usually found in pesticides and is known to induce changes in male hormone profile by decreasing serum testosterone and inhibin B levels. Phosphoric acid diethyl ester is also known to negatively affect the health of women and newborns living in agricultural communities. |
Molecular Weight: | 154.10 |
Molecular Formula: | C4H11O4P |
Canonical SMILES: | CCOP(=O)(O)OCC |
InChI: | InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) |
InChI Key: | UCQFCFPECQILOL-UHFFFAOYSA-N |
Boiling Point: | 203 °C |
Density: | 1.195 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00039889 |
LogP: | 1.15980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
31835022 | 20200201 | Assessment of the endocrine-disrupting effects of diethyl phosphate, a nonspecific metabolite of organophosphorus pesticides, by in vivo and in silico approaches | Environment international |
30978295 | 20191101 | Organophosphorus Pesticides Induce Cytokine Release from Differentiated Human THP1 Cells | American journal of respiratory cell and molecular biology |
25369257 | 20150201 | Early-life exposure to organophosphate pesticides and pediatric respiratory symptoms in the CHAMACOS cohort | Environmental health perspectives |
22781438 | 20121101 | Organophosphorous pesticide breakdown products in house dust and children's urine | Journal of exposure science & environmental epidemiology |
21601922 | 20120701 | Organophosphate pesticide exposure and perinatal outcomes in Shanghai, China | Environment international |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03949583 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03949583 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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