HCID95118

1,3-Diethyl 2-methylenepropanedioate

diethyl 2-methylidenepropanedioate

C8H12O4172.18 g/molCAS 3377-20-6

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IDENTITY

结构与身份

标准SMILES: C=C(C(=O)OCC)C(=O)OCC
InChIKey: BQHDXNZNSPVVKB-UHFFFAOYSA-N
分子式: C8H12O4
平均分子量: 172.18 g/mol
单同位素质量: 172.07355886

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 6
重原子: 12
形式电荷: 0
复杂度: 175

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (95.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (95.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 23 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

Regulatory Information

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Corr. 1 (95.7%)；Skin Sens. 1 (95.7%)；Eye Dam. 1 (95.7%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

USES

用途与制造

来源：PubChem

General Manufacturing Information

Propanedioic acid, 2-methylene-, 1,3-diethyl ester: ACTIVE

ALIASES

名称与别名

共 41 条

3377-20-6Diethyl methylidenemalonateDTXSID901033182DEMMRefChem:587122DTXCID2013807601,3-Diethyl 2-methylenepropanedioatediethyl 2-methylenemalonateDiethyl methylenemalonatediethyl 2-methylidenepropanedioatePropanedioic acid, methylene-, diethyl esterMFCD01756915Diethyl 2-Methylenemalonate (Stabilized with TBC, >85%)Propanedioic acid, 2-methylene-, 1,3-diethyl esterEthyl methylenemalonate1,1-DicarbethoxyetheneMethylene diethylmalonateDiethyl2-methylenemalonateBRN 1723773Malonic acid, methylene-, diethyl ester

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1988_09 · 10.6084/m9.figshare.5104873.v1 · US04769464

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04291171

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uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04291171

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

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