Dimethyl 1,6-hexanedioate | AI3-00668 | J-660024 | MLS001065612 | EC 211-020-6 | BY71RX0R62 | hexanedioic acid dimethyl ester | Hexanedioic acid, 1,6-dimethyl ester | Tox21_201912 | BBL011467 | CHEBI:34715 | Dimethyl adipate, 98% | DIMETHYL ADIPATE [INCI]

规格或纯度

化学纯（CP）, ≥98%

英文名称

Dimethyl adipate(DMA)

储存条件

室温

运输条件

常规运输

纯度

≥98%

名称和识别符

PubChem SID

528771590

EC号

211-020-6

分子类型

小分子

IUPAC Name

dimethyl hexanedioate

INCHI

1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

InChi Key

UDSFAEKRVUSQDD-UHFFFAOYSA-N

Smiles

COC(=O)CCCCC(=O)OC

Isomeric SMILES

COC(=O)CCCCC(=O)OC

分子量

174.19

Beilstein号

1707443

Reaxy-Rn

1707443

Reaxys-RN link address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&ln=

技术文档

📋 安全数据表 (SDS)

全面的危险、操作、储存及法规合规文件。

下载 SDS →

✅ 分析证书 (COA)

批次质量数据。输入批号以获取对应 COA。

查询 COA →

📊 产品数据表

产品规格和应用的快速参考摘要。

查看数据表 →

🔬 规格说明书

该级别的完整质量属性和验收标准。

查看规格说明 →

高级数据

系统学分类

分类树（Taxonomy Tree）

界（kingdom) 有机化合物
- 超类（Superclass) 脂质和脂质样分子
  - 类（Class) 脂肪酰基
    - 亚类（Subclass）脂肪酸酯

界（kingdom)	有机化合物
超类（Superclass)	脂质和脂质样分子
类（Class)	脂肪酰基
亚类（Subclass）	脂肪酸酯
中间层级节点（Intermediate Tree Nodes）	暂无
直接上位类(Direct Parent)	脂肪酸甲酯
其他上位类（Alternative Parents）	二羧酸及其衍生物甲酯有机氧化物碳氢化合物衍生物羰基化合物
分子骨架（Molecular Framework)	脂肪族无环化合物
取代基（Substituents）	脂肪族非环化合物 - 羰基 - 羧酸衍生物 - 羧酸酰胺 - 二羧酸或其衍生物 - 脂肪酸甲酯 - 烃衍生物 - 甲酯 - 有机氧化物 - 有机氧化合物 - 有机氧化合物
描述（Description）	该化合物属于有机化合物中的脂肪酸甲酯类。这类化合物含有与甲基发生酯化的脂肪酸，其通式为RC(=O)OR'，其中R代表脂肪族烷基或有机酰基，R'代表甲基。
外部描述符（External Descriptors）	fatty acid methyl ester

三维结构

交互式化学结构模型

球棍
棍棒
线框模型
空间填充
显示氢气
动画

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)

点击查看靶蛋白信息： NR3C1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 活性数据)

点击查看靶蛋白信息： TP53

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 活性数据)

点击查看靶蛋白信息： APEX1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 活性数据)

点击查看靶蛋白信息： GMNN

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Plasmodium falciparum (966862 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

化学和物理性质

密度

1.062

敏感性

对湿度敏感

折光率

1.4285

闪点(℉)

107℃

闪点(℃)

107℃

沸点

215-225 °C

熔点

8°C

分子量

174.190 g/mol

XLogP3

1.000

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

174.089 Da

单同位素质量Monoisotopic Mass

174.089 Da

拓扑极表面积Topological Polar Surface Area

52.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

135.000

同位素原子数Isotope Atom Count

定义的原子立体中心计数Defined Atom Stereocenter Count

未定义的原子立体中心计数Undefined Atom Stereocenter Count

定义的键立体中心计数Defined Bond Stereocenter Count

未定义的键立体中心计数Undefined Bond Stereocenter Count

所有立体化学键的总数The total count of all stereochemical bonds

共价键合单元计数Covalently-Bonded Unit Count

安全和危险性（GHS）

象形图

GHS07

信号词

警告

危险声明

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P319: 如果你感到不适，请寻求医疗帮助。

WGK Germany

RTECS

AV1645000

Merck Index

162

个人防护装备

Eyeshields,Gloves

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到7个结果

批号(Lot Number)	证书类型	货号
G2227720	分析证书	D103058
G2525155	分析证书	D103058
G2107134	分析证书	D103058
B2506194	分析证书	D103058
B1713003	分析证书	D103058
D2408056	分析证书	D103058
K2229145	分析证书	D103058

技术文档和文章

选择 CP 级试剂：应用场景、局限及升级路径

目录：阿拉丁试剂的规格、级别和纯度

探索主题:

化学纯

Picking CP Grade Reagents: Applications, Limits, and Upgrade Paths

目录：阿拉丁试剂的规格、级别和纯度

探索主题:

从十二碳醇酯到 DIBA：水性涂料成膜及增塑型助剂的结构特征、作用机理与选型要点

目录：技术文章

探索主题:

水性涂料增塑型助剂

From C12 Alcohol Ester to DIBA: Structural Features, Mechanisms of Action, and Selection Criteria for Film-Forming and Plasticizing Additives in Waterborne Coatings

目录：技术文章

探索主题:

Water-based paint Plasticizing additive

此产品的引用文献

如何在您的发表作品中引用阿拉丁的产品和网站? 引用文献检索

引用文献

1. Linchuan Cong, Yupeng Wu, Nan Lin, Xinxin Li, Fangbing Liu, Fuyu Han, Jin Yang, Ciduo Wang, Haibo Lin. (2023) Boosting decarboxylation of monomethyl adipate coupling to dimethyl sebacate through Pt electrode at high current density. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2023.148331]
2. Yongliang Ding, Jiangjun Zhou, Lieshun Cai, Zhongkai Wang, Feng Jiang. (2023) Humidity-sensitive and fluorescent bio-based polyhydroxylamides toward sustainable adhesives. INDUSTRIAL CROPS AND PRODUCTS, [10.1016/j.indcrop.2023.117423]
3. Tao Guo, Fang-You Yan, Yao-Feng Wang, Xiao-Feng Xu, Qing-Zhu Jia, Bao-Hua Xu. (2023) Boosted nitrilation of dimethyl adipate with NH3 to adiponitrile over bimetallic oxide: Synergetic effect between Nb and W. CHEMICAL ENGINEERING SCIENCE, [10.1016/j.ces.2023.119121]
4. Yunxiao Dong, Yong Yang, Jinggang Wang, Qianfeng Wang, Xiaoqin Zhang, Han Hu, Jin Zhu. (2023) Synthesis and characterization of biobased poly(butylene adipate-co-furandicarboxylate) with excellent gas barrier properties. JOURNAL OF APPLIED POLYMER SCIENCE, 140 (38): (e54441). [10.1002/app.54441]
5. Xiaoqin Zhang, Jinggang Wang, Yunxiao Dong, Qianfeng Wang, Jin Zhu. (2022) Self-healing and biodegradable copolyesters synthesized from 2,5-furandicarboxylic acid applied as human skin. JOURNAL OF APPLIED POLYMER SCIENCE, 139 (29): (e52627). [10.1002/app.52627]
6. Guang-Rong Ding, Yao-Feng Wang, Guo-Yi Duan, Tao Guo, Xiao-Feng Xu, Chun-Shan Li, Bao-Hua Xu. (2022) Chemoselective nitrilation of dimethyl adipate with ammonia over carbon encapsulated WOx catalysts under continuous flow conditions. Catalysis Science & Technology, 12 (12): (3982-3991). [10.1039/D2CY00733A]
7. Chunli Zhi, Yang Tang, Jinru Wan, Xingming Liu, Honglin Chen, Xunqiu Wang. (2020) Determination and correlation of ternary isobaric vapour-liquid equilibrium data of (dimethyl succinate + dimethyl glutarate + dimethyl adipate) at 2, 5 and 8 kPa. JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2019.106047]
8. Zhang Zeyu, Meng Xianyang, Zhang Ke, Wu Jiangtao. (2019) Viscosity Measurements of Dialkyl Adipates in the Temperature Range of (283 to 363) K and up to 40 MPa. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 40 (12): (1-18). [10.1007/s10765-019-2573-6]
9. Qian Wang, Yucui Hou, Weize Wu, Yupeng Wang, Qing Liu, Shuhang Ren. (2019) A deep insight into the structural characteristics of Yilan oil shale kerogen through selective oxidation. Carbon Resources Conversion, [10.1016/j.crcon.2019.09.002]
10. Xingchuan Yang, Huanxin Li, Chunmei Cao, Zongpeng Zou, Li Xu, Guoji Liu. (2019) Isobaric Vapor–Liquid Equilibrium for the Binary System of Dimethyl Adipate and 1,6-Hexanediol at 10, 20, and 99 kPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [10.1021/acs.jced.9b00306]
11. Xingchuan Yang, Huanxin Li, Chunmei Cao, Li Xu, Guoji Liu. (2019) Experimental and correlated liquid-liquid equilibrium data for dimethyl adipate + 1,6-hexanediol + water or ethylene glycol. JOURNAL OF MOLECULAR LIQUIDS, [10.1016/j.molliq.2019.03.115]
12. Honglin Chen, Lei Zhang, Yulan Huang, Jingjing Lu, Zhijian Zhao, Xunqiu Wang. (2019) Isobaric vapor–liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa. JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2019.02.006]
13. Ze-Yong Zhao, Ji Lan, Cong Deng, Yu-Zhong Wang. (2024) An Upcycling Strategy for Polyamide 6: Preparing Thermoplastic Polyamide Elastomers from Glycolysates Produced by Controlled Degradation. GREEN CHEMISTRY, [10.1039/D4GC03815K]
14. Qianfeng Wang, Jiayi Li, Yunxiao Dong, Han Hu, Drow Lionel OYoung, Di Hu, Yufang Zhang, Dong-Qing Wei, Jinggang Wang, Jin Zhu. (2024) Biodegradable Copolyesters Derived from 2,5-Thiophenedicarboxylic Acid for High Gas Barrier Packaging Applications: Synthesis, Crystallization Properties, and Biodegradation Mechanisms. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.4c03611]
15. Qingyang Luan, Han Hu, Xingyu Ouyang, Xiaoyu Jiang, Chen Lin, Hanxu Zhu, Ting Shi, Yi-Lei Zhao, Jinggang Wang, Jin Zhu. (2024) New modifications of PBAT by a small amount of oxalic acid: Fast crystallization and enhanced degradation in all natural environments. JOURNAL OF HAZARDOUS MATERIALS, [PMID:38219588] [10.1016/j.jhazmat.2024.133475]
16. Chen Lin, Han Hu, Hanxu Zhu, Qingyang Luan, Zhenzhong Li, Jinggang Wang, Jin Zhu. (2025) Disulfide-Driven On-Demand Degradation of the PBAT Copolymer: Stable Comprehensive Performance, Long-Term Storage, and Redox-Induced Degradation. MACROMOLECULES, [10.1021/acs.macromol.4c02244]
17. Huanting Li, Xiaoyun Li, Ning Yin, Maoqing Kang, Junwei Wang, Qifeng Li, Qin Wang, Lijun Liu, Jiahao Li, Yuhua Zhao. (2025) Synthesis of polyoxalate diols from dimethyl oxalate through transesterification-polycondensation reaction and their application in preparing novel polyurethane elastomers. POLYMER, [10.1016/j.polymer.2025.129334]
18. Linchuan Cong, Xinxin Li, Fuyu Han, Yupeng Wu, Kewen Ma, Ciduo Wang, Nan Lin, Haibo Lin. (2025) Electrode interfacial wettability engineering for high-efficiency synthesis of dimethyl sebacate via Kolbe electrolysis. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2025.171314]
19. Xin Jing, Xiaoyun Li, Yuhua Zhao, Junwei Wang, Chunxia Niu. (2026) Mechanical Properties at High Temperatures and Thermal Properties of Polyurethane Elastomers With Different Amide Segments. POLYMER ENGINEERING AND SCIENCE, [10.1002/pen.70704]