Diethyl Pyrocarbonate (HCID 3051)

개요

Diethyl pyrocarbonate is the diethyl ester of dicarbonic acid. It is functionally related to a dicarbonic acid.

이름 및 식별자

우선 이름: Diethyl Pyrocarbonate
IUPAC: ethoxycarbonyl ethyl carbonate
현지명: 디에틸 피로탄산염
영어명: Diethyl pyrocarbonate
분자식: C6H10O5
분자량: 162.14

이름 및 동의어

diethyl pyrocarbonate1609-47-8Diethyl dicarbonateDEPCDiethyl oxydiformateDiethylpyrocarbonateBaycovinEthyl pyrocarbonatePirefDicarbonic acid, diethyl esterDicarbonic acid diethyl esterDiethyl pyrocarbonic acid

이름 더 보기

디에틸피로탄산염디에틸피로탄산염(DIETHYLPYROCARBONATE)ethoxycarbonyl ethyl carbonateDKDDEP／DEPCDEPC/DEPethylpyrocarbonate

Oxydiformic acid diethyl esterPyrocarbonic acid diethyl esterDiethylpyrokarbonatEthoxyformic acid anhydridePyrocarbonate d'ethylePyrokohlensaeure diaethyl esterDiethyl ester of pyrocarbonic acidDiethylester kyseliny diuhlicite

데이터베이스 식별자

CAS: 1609-47-8
PubChem CID: 3051
DTXSID: DTXSID2051764
ChEMBL: CHEMBL55517
ChEBI: CHEBI:59051
UNII: LMR3LZG146
EC Number: 216-542-8
Nikkaji: J13.055I

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 126

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other

Food AdditivesDOUGH STRENGTHENER -> FDA Substance added to food

Density1.12 @25 °C

Melting Point< 25 °C

Physical Description · 2건

Viscous liquid with a fruity odor. [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]

Solid

물리화학적 성질

녹는점: 69 ℃ · 69℃
끓는 점: 93 · 93-94 °C18 mm Hg(lit.)
밀도: 1.12 g/mL · 1.12 g/mL at 20 °C
굴절률: 20 · n20/D 1.398(lit.)
인화점: 157 °F · 157 °F
저장 조건: 2 · 2-8°C
용해도: 95 % · 95% 에탄올: 용해성4.5g/10mL, 투명, 무색
물리적 상태: 액체
색상: 20 · APHA: ≤20
생물학적 소스: synthetic (microbial fermentation/ cell culture)
수용성: 느린 분해
Merck: 14 · 14,7998
BRN: 637031 · 637031
안정성: 타기 쉬운. 불안정 - 쉽게 분해됩니다. 강한 산화제, 강산, 강한 환원제, 강염기, 암모니아와 호환되지 않습니다.
InChI: 1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
InChIKey: FFYPMLJYZAEMQB-UHFFFAOYSA-N
SMILES: CCOC(=O)OC(=O)OCC
LogP: 1.101 · 1.101 (est)
NIST: Diethyl pyrocarbonate(1609-47-8)
EPA: Dicarbonic acid, diethyl ester (1609-47-8)

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 93 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Dicarbonic acid, diethyl ester

Diethyl dicarbonate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes dyspnea in inhalation lethal-concentration studies of guinea pigs, mice, and rabbits (LCLo = 10 ppm/1hr); [RTECS] Slowly decomposed by water forming ethanol and carbon dioxide; A skin, eye, and mucous membrane irritant; [Merck Index] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (93.5%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

4.1 [mg/m3]

45 [mg/m3]

270 [mg/m3]

독성 정보

Toxicity DataLCLo (rat) = 10,000 mg/m3/1hr

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: LQ9350000
ridadr: 2810
독성: LD50 orally in Rabbit: 850 mg/kg
HS 번호: 29209085
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn
safety_code: 26-36-37/39
포장분류: III
위험 등급: 6.1(b)
기존화학 물질: KE-10521
F 고인화성물질: 4.4-9-21
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Uses · 2건

Used as a preservative in wines, soft drinks, and fruit juices; [Merck Index] Used as a laboratory reagent; [REPROTOX]

Banned for use as a food additive; [FDA]

Use ClassificationFood Additives -> PRESERVATIVE -> JECFA Functional Classes

General Manufacturing InformationDicarbonic acid, 1,3-diethyl ester: ACTIVE

응용 분야 · 2건

용도Diethyl pyrocarbonate may be used in the following studies:For the modification of histidyl residues in proteins.As a nuclease inhibitor, for the extraction of undegraded nucleic acids from etiolated and green plant tissues.For the modification of linear and supercoiled plasmid DNAs.As a chemical probe to investigate the secondary structure in negatively supercoiled DNA.For cabethoxylation of histidine residues of actin.

일반 설명Diethyl pyrocarbonate (DEP) is a bactericidal agent and decomposes in water to CO2 and ethanol. DEP inhibits enzymes such as DNase and RNase without affecting nucleic acids. It is useful for the preparation of mRNA from tissues.