ビス(エトキシぎ酸)無水物
Diethyl Pyrocarbonate
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基本情報
- CAS
1609-47-8- 標準SMILES
CCOC(=O)OC(=O)OCC- InChIKey
FFYPMLJYZAEMQB-UHFFFAOYSA-N- 分子式
- C6H10O5
- 平均分子量
- 162.14 g/mol
- 単同位体質量
- 162.05282342
概要
Diethyl pyrocarbonate is the diethyl ester of dicarbonic acid. It is functionally related to a dicarbonic acid.
名称と識別子
- 優先名称
- Diethyl Pyrocarbonate
- IUPAC
- ethoxycarbonyl ethyl carbonate
- 現地名
- ビス(エトキシぎ酸)無水物
- 英語名
- Diethyl pyrocarbonate
- 分子式
- C6H10O5
- 分子量
- 162.14
名称と別名
diethyl pyrocarbonate1609-47-8Diethyl dicarbonateDEPCDiethyl oxydiformateDiethylpyrocarbonateBaycovinEthyl pyrocarbonatePirefDicarbonic acid, diethyl esterDicarbonic acid diethyl esterDiethyl pyrocarbonic acid
名称をさらに表示
オキシジぎ酸ジエチルオキシ二ぎ酸ジエチルベイコビンバイコビンピレフビス(炭酸エチル)無水物ジエチルオキシジホルマートデカペックス二炭酸ジエチルオキシビス(ぎ酸エチル)ピロ炭酸ジエチルビス(エトキシぎ酸)無水物ジエチルピロカルボナートピロカルボン酸ジエチルジエチルジカルボネートethoxycarbonyl ethyl carbonateDKDDEP／DEPCDEPC/DEPethylpyrocarbonate
Oxydiformic acid diethyl esterPyrocarbonic acid diethyl esterDiethylpyrokarbonatEthoxyformic acid anhydridePyrocarbonate d'ethylePyrokohlensaeure diaethyl esterDiethyl ester of pyrocarbonic acidDiethylester kyseliny diuhlicite
データベース識別子
- CAS
1609-47-8- PubChem CID
- 3051
- DTXSID
DTXSID2051764- ChEMBL
CHEMBL55517- ChEBI
CHEBI:59051- UNII
- LMR3LZG146
- EC Number
- 216-542-8
- Nikkaji
- J13.055I
物性
構造計算による物性補完中
- XLogP
- 1.4
- 極性表面積
- 61.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 126
実験および物理化学的性質
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
物理化学的性質
- 融点
- 69 ℃ · 69℃
- 沸点
- 93 · 93-94 °C18 mm Hg(lit.)
- 比重(密度)
- 1.12 g/mL · 1.12 g/mL at 20 °C
- 屈折率
- 20 · n20/D 1.398(lit.)
- 闪点
- 157 °F · 157 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 95 %エタノール:可溶4.5g/10mL、無色透明 · 95%エタノール:可溶4.5g/10mL、無色透明
- 外見
- 液体
- 色
- 20 · APHA: ≤20
- 由来生物
- synthetic (microbial fermentation/ cell culture)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
Protective Action Criteria (PAC)
4.1 [mg/m3]
45 [mg/m3]
270 [mg/m3]
毒性情報
Toxicity DataLCLo (rat) = 10,000 mg/m3/1hr
安全データ
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
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
応用分野
用途有機合成原料、リボヌクレアーゼ阻害剤、抗菌添加剤。
使用Diethyl 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.
一般的な説明Diethyl 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.
調製方法
純化方法Dissolve the ester in Et2O, wash it with dilute HCl, H2O, dry over Na2SO4, filter, evaporate and distil the residue first in vacuo then at atmospheric pressure. It is soluble in alcohols, esters, ketones and hydrocarbon solvents. A 50% w/w solution is usually prepared for general use. Treat with great CAUTION as DEP irritates the eyes, mucous membranes and skin. [Boehm & Mehta Chem Ber 71 1797 1938, Thoma & Rinke Justus Liebigs Ann Chem 624 30 1959, Beilstein 3 IV 18.]
関連反応
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