Diethyl phosphate

HCID 654CAS 51501-07-6

기본 정보

표준 SMILES
CCOP(=O)(O)OCC
InChIKey
UCQFCFPECQILOL-UHFFFAOYSA-N
분자식
C4H11O4P
평균 분자량
154.1 g/mol
단동위원소 질량
154.03949546

개요

Diethyl hydrogen phosphate is a dialkyl phosphate having ethyl as the alkyl group. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a diethylphosphate(1-).

이름 및 식별자

우선 이름
Diethyl phosphate
IUPAC
diethyl hydrogen phosphate
영어명
Diethyl phosphate
분자식
C4H11O4P
분자량
154.1

이름 및 동의어

diethyl hydrogen phosphateDiethyl phosphate598-02-7Diethyl acid phosphatediethylphosphatephosphoric acid, diethyl esterdiethoxyphosphinic acidO,O-Diethyl hydrogen phosphateEthyl phosphate, di-Ethyl phosphate, (ETO)2(HO)PODTXSID1044699W0QQU4CAB7
이름 더 보기
IETHYLPHOSPHATEdi-ethylphosphatETHYLACIDPHOSPHATEO,O-DIETHYLPHOSPHATEdiethylacidphosphatediethylphosphoricacidDiethyl phosphate,98%
CHEBI:27708NSC-97178RefChem:587273DTXCID9024699DTXCID20820146209-912-5DTXSID10872492Phosphoric acid diethyl ester

데이터베이스 식별자

CAS
51501-07-6、52932-96-4、53397-17-4、598-02-7
PubChem CID
654
DTXSID
DTXSID1044699
ChEMBL
CHEMBL1232324
ChEBI
CHEBI:27708
UNII
W0QQU4CAB7
EC Number
209-912-5
Nikkaji
J1.649G

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
55.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical Classes · 3건

Other Classes -> Organophosphates, Other

Organophosphate

Organophosphate diesters (OPDE)

SpringerMaterials PropertiesOptical coefficient
Physical Description · 3건

Liquid

Colorless clear liquid; [MSDSonline]

Solid

Collision Cross Section129.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1044699]

물리화학적 성질

녹는점
6 °C · 6 °C
끓는 점
203 °C · 203 °C
밀도
1.29 · 1.29
굴절률
1.417 · 1.4170
인화점
91 °C · 91 °C
저장 조건
2 · Sealed in dry,2-8°C

화학적 성질

clear colorless to light yellow-orange liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.

Warning

H315 (56%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Hazard Traits - Developmental Toxicity; Neurotoxicity

Phosphoric acid, diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (56%)

독성 정보

Toxicity Summary · 1건

S-Ethylisothiouronium diethylphosphate is a specific inhibitor of inducible NO synthase on hepatic NO production level. S-Ethylisothiouronium diethylphosphate affects systemic hemodynamic indices in the following way: the peripheral vascular resistance increases, the stroke volume and central blood volume increase, and the work of the left ventricle improves. (Wikipedia)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

tsca
TSCA listed
rtecs
TC0665000
HS 번호
29199000
risk_code
36/37/38-39/23/24/25-23/24/25-11
hazard_code
Xi,T,F
safety_code
37/39-26-36-45-36/37-16-7

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

Diethyl phosphorothioate is a known human metabolite of Diazoxon, Chlorpyrifos-oxon, and Chlorpyrifos.

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.
U.S. Production2023: 41,165 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information · 2건

Paint and Coating Manufacturing

Phosphoric acid, diethyl ester: ACTIVE

공급사50 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

추가 설명

정의ChEBI: A dialkyl phosphate having ethyl as the alkyl group.

관련 반응

8건

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