디에틸 피로탄산염
Diethyl Pyrocarbonate
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기본 정보
- CAS
1609-47-8- 표준 SMILES
CCOC(=O)OC(=O)OCC- InChIKey
FFYPMLJYZAEMQB-UHFFFAOYSA-N- 분자식
- C6H10O5
- 평균 분자량
- 162.14 g/mol
- 단동위원소 질량
- 162.05282342
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 물성보충 중
- XLogP
- 1.4
- 극성 표면적
- 61.8 Ų
- 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
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)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Dicarbonic acid, diethyl ester
Diethyl dicarbonate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
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)
4.1 [mg/m3]
45 [mg/m3]
270 [mg/m3]
독성 정보
Toxicity DataLCLo (rat) = 10,000 mg/m3/1hr
안전 데이터
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Uses
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
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.
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