CAS 78-09-1 Tetraethyl orthocarbonate (HCID 66213)

名称と識別子

優先名称: Tetraethyl orthocarbonate
IUPAC: triethoxymethoxyethane
現地名: テトラエトキシメタン
英語名: Tetraethyl orthocarbonate
分子式: C9H20O4
分子量: 192.25

名称と別名

Tetraethyl orthocarbonate78-09-1TetraethoxymethaneEthane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-Orthocarbonic acid, tetraethyl esterEINECS 201-082-2NSC-28574DTXSID1075278W2P2570012NSC 28574Ethane, 1,1',1'',1'''-(methanetetrayltetrakis(oxy))tetrakis-RefChem:896982

名称をさらに表示

テトラエトキシメタンテトラエチル-O-カーボネートオルト炭酸エチルオルト炭酸テトラエチルテトラエチルオルトカルボナートテトラエチル=オルトカルボナート(トリエトキシメトキシ)エタンオルトカルボン酸テトラエチル, 98+%テトラエチルオルソカルボナートAzilsartan SM3ethyl orthocarbonateTetraethyl orthocarbFour ethyl carbonateEthane, 1,1‘,1‘‘,1‘‘‘-Tetraethyl-2-carbonatetriethoxymethoxy-ethaneTRIETHYL ORTHOCARBONATETetraethyl orthocarbote

DTXCID1048097201-082-2triethoxymethoxyethane(triethoxymethoxy)ethaneTetraethylorthocarbonateMFCD00009221TetraethylOrthocarbonate-d201216440-54-8

データベース識別子

CAS: 78-09-1
PubChem CID: 66213
DTXSID: DTXSID1075278
UNII: W2P2570012
EC Number: 201-082-2
Nikkaji: J4.217J

物性

構造計算による物性

XLogP: 1.3
極性表面積: 36.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 8
重原子数: 13
形式電荷: 0
複雑度: 86.7

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点: 222 °C · 222 °C
沸点: 159 °C · 159 °C (lit.)
比重(密度): 0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.392(lit.)
闪点: 127 °F · 127 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Chloroform, Methanol
外見: clear liquid
比重: 0.919 · 0.919
色: Colorless to Almost colorless
水溶解度: 不溶性
BRN: 1747401 · 1747401
InChI: 1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N
SMILES: CCOC(OCC)(OCC)OCC
CAS データベース: 78 · 78-09-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Ethane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-(78-09-1)
EPAの化学物質情報: 1 · Ethane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis- (78-09-1)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Warning

H226 (98.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-

Status: Active Update: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19211

Tetraethyl orthocarbonate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (98.2%)

安全データ

F: 21
wgk: 3
ridadr: UN 3272 3/PG 3
hs_code: 29209010
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi,F
safety_code: 37/39-26-16-36-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Tetraethyl Orthocarbonate is used in the synthesis of chemokine receptor-5 inhibitors against HIV-1, benzobisoxazoles and in the preparation of organic semiconductors. It is also employed in the synthesis of 2,7-dimethylene-1,4,6,9-tetraoxaspiro[4,4]nonane and in the synthesis of cross linked poly(orthocarbonate)s used as organic solvent absorbent.

調製方法 · 1 件

純化方法Likely impurities are hydrolysis products. Shake the orthocarbonate with brine (saturated NaCl, dilute with a little Et2O if amount of material is small) and dry (MgSO4). The organic layer is filtered off and evaporated, and the residue is distilled through a helices packed fractionating column with a total reflux partial take-off head. All distillations can be done at atmospheric pressure in an inert atmosphere (e.g. N2). [Roberts & McMahon Org Synth Coll Vol IV 457 1963, Connolly & Dyson J Chem Soc 828 1937, Tieckelmann & Post J Org Chem 13 266 1948, for review see Kantlehner et al. Justus Liebigs Ann Chem 507 207 1982, Beilstein 3 IV 6.]