HRID622169
uspto-grants-1988_09
作为反应物
uspto-grants-1988_09 · 10.6084/m9.figshare.5104873.v1 · US04769464
查看条件与参与物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
- XLogP
- 1.5
- 极性表面积
- 52.6 Ų
- 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
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
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
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
USES
用途与制造
General Manufacturing Information
Propanedioic acid, 2-methylene-, 1,3-diethyl ester: ACTIVE
ALIASES
名称与别名
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
HRID1226598
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1578163
uspto-grants-1981_09
作为反应物
uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04291171
查看条件与参与物HRID1578165
uspto-grants-1981_09
作为反应物
uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04291171
查看条件与参与物HRID2347381
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看条件与参与物