衣康酸二甲酯

Dimethyl itaconate

HCID 69240CAS 617-52-7
子结构检索查找相似结构

基本信息

标准SMILES
C=C(CC(=O)OC)C(=O)OC
InChIKey
ZWWQRMFIZFPUAA-UHFFFAOYSA-N
分子式
C7H10O4
平均分子量
158.15 g/mol
单同位素质量
158.0579088

概述

structure in first source

名称与标识

首选名称
Dimethyl itaconate
IUPAC
dimethyl 2-methylidenebutanedioate
中文名
衣康酸二甲酯
英文名
Dimethyl itaconate
分子式
C7H10O4
分子量
158.15

名称与别名

Dimethyl itaconate617-52-7Dimethylitaconatedimethyl 2-methylidenebutanedioate11JIB0YI93Butanedioic acid, 2-methylene-, 1,4-dimethyl esterNSC-9385DTXSID80210701NSC-385RefChem:134250DTXCID70133192210-519-6
展开更多名称
衣康二甲脂二甲基衣康酸衣康酸二甲酯衣尿酸二甲酯亚甲基琥珀酸二甲酯亚甲基丁二酸二甲酯衣康酸二甲酯,97%衣康酸二甲酯(DMI)衣康酸二甲酯(含稳定剂氢醌)衣康酸二甲酯(含稳定剂HQ)DIMETHYL METHYLENESUCCINATEC7H10O4109533-100Gized with HQ)METHYL ITACONATEItaconate (stabiLDimethyl itaconate,97%
Dimethyl 2-methylenesuccinate1,4-dimethyl 2-methylidenebutanedioateItaconic acid dimethyl esterButanedioic acid, methylene-, dimethyl esterItaconic acid, dimethyl esterCCRIS 7232EINECS 210-519-6MFCD00008446

数据库标识

CAS
617-52-7
PubChem CID
69240
DTXSID
DTXSID80210701
ChEMBL
CHEMBL4750162
UNII
11JIB0YI93
EC Number
210-519-6
Nikkaji
J45.119C

性质

结构计算性质

XLogP
0.5
极性表面积
52.6 Ų
氢键供体
0
氢键受体
4
可旋转键
5
重原子
11

实验与物化性质

SpringerMaterials PropertiesBoiling point

物理化学性质

熔点
37 · 37-41 °C (lit.)
沸点
208 °C · 208 °C (lit.)
密度
1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
蒸气压
4.05 Pa · 4.05Pa at 20℃
折射率
1.4457 · 1.4457 (estimate)
闪点
213 °F · 213 °F

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 55.6% (5 of 9) of all reports.

Danger

H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 3 条

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

Status: Active Update: 17-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16997

Butanedioic acid, methylene-, dimethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (22.2%)

安全数据

F
3
wgk
3
tsca
TSCA listed
存储类别
11 - Combustible Solids
安全说明
24/25
海关编码
29171900

化学与工业

用途与制造

General Manufacturing InformationButanedioic acid, 2-methylene-, 1,4-dimethyl ester: ACTIVE

应用领域

简介衣康酸二甲酯在a，β位置上具有双键，一般都可认为是丙烯酸酯的取代衍生物， 其反应性也活泼，可以在许多领域中应用。其可用于润滑油增稠剂、共聚物胶乳、水处理的除垢剂、表面活性剂、改性醇酸树脂等。

用途用于润滑油增稠剂、共聚物胶乳、水处理的除垢剂、表面活性剂、改性醇酸树脂等

制备方法 · 1 条

生产方法1. 将衣康酸、甲醇及催化剂按一定比例混合后，转移至100mL高压釜中。2. 在120℃条件下持续搅拌反应混合物。3. 通过调整甲醇与衣康酸的摩尔比、催化剂用量及反应时间等参数，进行反应条件的优化。4. 反应完成后，通过过滤操作分离并回收催化剂。参考文献：[1] Journal of Molecular Catalysis A: Chemical, 2013, vol. 368-369, p. 24 - 30[2] Heterocycles, 1988, vol. 27, # 8, p. 1887 - 1898[3] Tetrahedron Letters, 2015, vol. 56, # 27, p. 4119 - 4123[4] Chemistry and physics of lipids, 2002, vol. 120, # 1-2, p. 9 - 20[5] Russian Chemical Bulletin, 2005, vol. 54, # 2, p. 348 - 353

上下游产品信息

试剂价格

L12652 · 100g
衣康酸二甲酯, 97%Dimethyl itaconate, 97% — 460元
14916 · 500g
衣康酸二甲酯Dimethyl itaconate, 97%, stabilized, Thermo Scientific Chemicals — 839元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

相关反应

76 条
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