ChemicalBook--->CAS DataBase List--->598-02-7

598-02-7

598-02-7 Structure

598-02-7 Structure
IdentificationBack Directory
[Name]

DIETHYL PHOSPHATE
[CAS]

598-02-7
[Synonyms]

IETHYLPHOSPHATE
di-ethylphosphat
DIETHYL PHOSPHATE
ETHYLACIDPHOSPHATE
O,O-DIETHYLPHOSPHATE
diethylacidphosphate
diethylphosphoricacid
Diethyl phosphate,98%
Diethyl acid phosphate
Diethyl phosphoric acid
Phosphoric acid diethyl
DIETHYL HYDROGEN PHOSPHATE
Phosphoricacid,diethylester
o,o-diethylhydrogenphosphate
Ethyl phosphate, (ETO)2(HO)PO
Diethyl phosphate, tech., 75%
DIETHYL PHOSPHATE, 100MG, NEAT
Diethyl phosphate (mono- & di-)
Diethyl hydrogen phosphate solution
Phosphoric acid hydrogen diethyl ester
Diethyl phosphate,75%,tech., balance phosphoric acid
Diethyl phosphate, 75%, balance phosphoric acid, tech.
Diethyl phosphate, tech., balance phosphoric acid, 75%
[EINECS(EC#)]

209-912-5
[Molecular Formula]

C4H11O4P
[MDL Number]

MFCD00039889
[MOL File]

598-02-7.mol
[Molecular Weight]

154.1
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow-orange liquid
[Melting point ]

6 °C
[Boiling point ]

203 °C
[density ]

1.29
[refractive index ]

1.4170
[Fp ]

91 °C
[storage temp. ]

?20°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

1.42±0.50(Predicted)
[color ]

Clear colorless to light yellow-orange
[Stability:]

Moisture Sensitive
[InChI]

InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
[InChIKey]

UCQFCFPECQILOL-UHFFFAOYSA-N
[SMILES]

P(O)(OCC)(OCC)=O
[EPA Substance Registry System]

Phosphoric acid, diethyl ester (598-02-7)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow-orange liquid
[Definition]

ChEBI: A dialkyl phosphate having ethyl as the alkyl group.
[Uses]

Phosphoric acid diethyl ester 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.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 28, p. 2089, 1963 DOI: 10.1021/jo01043a035
Tetrahedron Letters, 29, p. 619, 1988 DOI: 10.1016/S0040-4039(00)80165-3
[in vivo]

Diethyl phosphate (oral gavage; 0.08-0.8 mg/kg; 24 weeks) can lead to the disturbance of endocrine hormones and related metabolic indexes in rats[1].
Diethyl phosphate (oral gavage; 0.08-0.13 mg/kg; 20 weeks) affects the intestinal microbiota, serum hormones and pro-inflammatory cytokines[2].

Animal Model:Adult male Wistar rats aged 7-8 weeks old (344.4 ± 21.0 g)[1]
Dosage:0.08 or 0.8 mg/kg
Administration:Oral gavage (i.g.); 24 weeks
Result:Did not affect the body weight of rats and food intake.
Significantly decreased serum levels of TC, TG and LDL-C in rats.
Resulted in a decrease in sperm concentration, while the sperm abnormality rate increased, did not affect the sperm morphology in rats.
Increased the serum levels of FSH and estradiol, while the serum levels of LH and testosterone decreased.
Could cause thyroid-related hormone disorders in the serum of rats, causing symptoms of hyperthyroidism in rats, and could also lead to abnormal expression of thyroid hormone-related genes in the rat liver.
Animal Model:Male Wistar rats aged 7 weeks old[2]
Dosage:0.08 or 0.13 mg/kg
Administration:Oral gavage (i.g.); 20 weeks
Result:Significantly enriched opportunistic pathogens, including Paraprevotella, Parabacteroides, Alloprevotella, and Helicobacter, leading to a decrease in IL-6.
Enriched the butyrate-producing genera, Alloprevotella and Intestinimonas, leading to an increase in estradiol and a resulting decrease in total triglycerides (TGs) and low-density lipoprotein cholesterol (LDL-C) in high dose group.
Induced increases in peptide tyrosine-tyrosine (PYY) and ghrelin.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H315-H317-H319-H335-H411-H372
[Precautionary statements ]

P261-P273-P280-P305+P351+P338
[Hazard Codes ]

Xi,T,F
[Risk Statements ]

36/37/38-39/23/24/25-23/24/25-11
[Safety Statements ]

37/39-26-36-45-36/37-16-7
[RTECS ]

TC0665000
[TSCA ]

TSCA listed
[HS Code ]

29199000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl phosphite
[Preparation Products]

Diethyl cyanophosphonate-->Methanesulfonic acid-->Diethyl Phenyl Phosphate-->TEPP-->Difluoromethylphosphonic acid diethyl ester-->Diphosphorus(III,V)oic acid tetraethyl ester-->Diphosphoric acid P1,P1-diethyl-P2,P2-dimethyl ester-->1-diethoxyphosphoryloxypentane
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL PHOSPHATE(598-02-7)1HNMR
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