HCID81961

Triethyl ethane-1,1,2-tricarboxylate

C11H18O6246.26 g/molCAS 7459-46-3

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC(C(=O)OCC)C(=O)OCC
InChIKey: TVWZLLYAJDSSCJ-UHFFFAOYSA-N
分子式: C11H18O6
平均分子量: 246.26 g/mol
单同位素质量: 246.11033829

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 78.9 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 10
重原子: 17
形式电荷: 0
复杂度: 255

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 49 条

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,4-7H2,1-3H1,1,2-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

REACTIONS

参与反应

22 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID44217

uspto-grants-2013_09

作为反应物

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541419B2

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HRID214716

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID339142

uspto-grants-2014_11

作为反应物

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889898B2

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HRID385603

uspto-grants-2013_02

作为反应物

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2

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HRID614304

uspto-grants-1979_03

作为反应物

uspto-grants-1979_03 · 10.6084/m9.figshare.5104873.v1 · US04144251

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HRID678252

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID683277

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID947908

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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