Triethyl methanetricarboxylate 分子结构式
HCID80471

Triethyl methanetricarboxylate

C10H16O6232.23 g/molCAS 6279-86-3

IDENTITY

结构与身份

标准SMILES
CCOC(=O)C(C(=O)OCC)C(=O)OCC
InChIKey
AGZPNUZBDCYTBB-UHFFFAOYSA-N
分子式
C10H16O6
平均分子量
232.23 g/mol
单同位素质量
232.09468823

COMPUTED

结构计算性质

已同步
XLogP
1.4
极性表面积
78.9 Ų
氢键供体
0
氢键受体
6
可旋转键
9
重原子
16
形式电荷
0
复杂度
217

GHS

GHS分类

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Regulatory Information

Methanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

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

REGULATORY

法规信息

Regulatory Information

Methanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 44 条
Triethyl methanetricarboxylate6279-86-3Methanetricarboxylic acid, triethyl esterEINECS 228-477-2AI3-18421DTXSID502118661,1,1-triethyl methanetricarboxylateNSC 11006RefChem:899477DTXCID80134357228-477-2InChI=1/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H2-Ethoxycarbonyl-malonic acid diethyl esterTricarbethoxymethaneMFCD00009150TriethylmethanetricarboxylateMethanetricarboxylic acid triethyl esterC10H16O6Diethyl 2-(ethoxycarbonyl)malonatediethyl 2-(ethoxycarbonyl)propane-1,3-dioate

REACTIONS

相关反应

57
HRID 44445 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541430B2

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HRID 68937 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822484B2

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HRID 171282 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 298748 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 411180 反应方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559145B2

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HRID 411186 反应方程式

uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559145B2

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HRID 806803 反应方程式

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

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HRID 943141 反应方程式

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

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