CAS 7459-46-3 Triethyl ethane-1,1,2-tricarboxylate (HCID 81961)

名称と識別子

優先名称: Triethyl ethane-1,1,2-tricarboxylate
IUPAC: triethyl ethane-1,1,2-tricarboxylate
現地名: 1,1,2-エタントリカルボン酸トリエチル
英語名: Triethyl 1,1,2-ethanetricarboxylate
分子式: C11H18O6
分子量: 246.26

名称と別名

7459-46-3Triethyl ethane-1,1,2-tricarboxylateTriethyl 1,1,2-ethanetricarboxylate1,1,2-Ethanetricarboxylic acid, triethyl esterEINECS 231-235-9AI3-03323DTXSID70225561NSC 78463RefChem:899476DTXCID00148052231-235-9InChI=1/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H

名称をさらに表示

1,1,2-エタントリカルボン酸トリエチルジエチル 2-(エトキシカルボニル)ブタンジオナート2-エトキシカルボニルコハク酸ジエチル1,1,2‐エタントリカルボン酸トリエチルエタン-1,1,2-トリカルボン酸トリエチル1,1,2-エタントリカルボン酸トリエチル, 99%2-エトキシカルボニルこはく酸ジエチル2-(エトキシカルボニル)ブタン二酸ジエチル1,1,2-トリエチルエタン-1,1,2-トリカルボキシラート2-(エトキシカルボニル)こはく酸ジエチルTETCLABOTEST-BB LT004526681,1,2-TricarbethoxyethaneTriethyl 1,1,2-ethanetricarbTriethyle1, 1, 2-ethanetricarboxylateDiethyl 2-(Ethoxycarbonyl)butanedioate

1,1,2-triethyl ethane-1,1,2-tricarboxylateMFCD000091542-ethoxycarbonyl-succinic acid diethyl esterTriethyl ethane-1,2,2-tricarboxylateTriethyl ethane tricarboxylate1,1,2-Ethanetricarboxylic Acid 1,1,2-Triethyl EsterNSC-78463Ethane-1,1,2-tricarboxylic acid, triethyl ester

データベース識別子

CAS: 7459-46-3
PubChem CID: 81961
DTXSID: DTXSID70225561
UNII: K6LNB6UH4U
EC Number: 231-235-9
Nikkaji: J36.625K

物性

構造計算による物性

XLogP: 1.1
極性表面積: 78.9 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 10
重原子数: 17
形式電荷: 0
複雑度: 255

物理化学的性質

沸点: 99 °C/0.5 · 99 °C/0.5 mmHg (lit.)
比重(密度): 1.074 g/mL · 1.074 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.429(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル
外見: 液体
酸解離定数(Pka): 11.78 · 11.78±0.59(Predicted)
比重: 1.074 · 1.074
色: 無色透明
BRN: 1796294 · 1796294
Dielectric constant: 6.5 · 6.5(19.0℃)
InChI: InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3
InChIKey: TVWZLLYAJDSSCJ-UHFFFAOYSA-N
SMILES: C(C(=O)OCC)(C(=O)OCC)CC(=O)OCC
CAS データベース: 7459 · 7459-46-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,1,2-Ethanetricarboxylic acid, triethyl ester(7459-46-3)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29420000
消防法: 危-4-3-III
safety_code: 23-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明Triethyl 1,1,2-ethanetricarboxylate is a carboxylic acid ester compound that can be used in nanomaterials, pharmaceutical intermediates, organic synthesis and other fields.

使用1,1,2-Ethanetricarboxylic Acid 1,1,2-Triethyl Ester is a useful synthetic intermediate. It can be used to prepare Isobutylsuccinic Acid (I780660) which was used to synthesize succinimide derivatives as inhibitors of human leukocyte elastase, cathepsin G and proteinase 3.