Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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D103059-5g
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5g |
2
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$31.90
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| Synonyms | Dimethyl adipate | 627-93-0 | Dimethyl hexanedioate | HEXANEDIOIC ACID, DIMETHYL ESTER | Dimethyladipate | Adipic acid dimethyl ester | Adipic acid, dimethyl ester | 1,6-Dimethylhexanedioate | DBE 6 | 1,6-dimethyl hexanedioate | hexanedioic acid dimethyl ester | MFCD00008469 | a |
|---|---|
| Specifications & Purity | Standard for GC, ≥99.5%(GC) |
| Shipped In | Normal |
| Grade | Standard for GC |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid methyl esters |
| Alternative Parents | Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
| External Descriptors | fatty acid methyl ester |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | dimethyl hexanedioate |
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| INCHI | InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3 |
| InChIKey | UDSFAEKRVUSQDD-UHFFFAOYSA-N |
| Smiles | COC(=O)CCCCC(=O)OC |
| Isomeric SMILES | COC(=O)CCCCC(=O)OC |
| WGK Germany | 1 |
| RTECS | AV1645000 |
| Molecular Weight | 174.19 |
| Beilstein | 1707443 |
| Reaxy-Rn | 1707443 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&ln= |
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.4285 |
| Flash Point(°F) | 107℃ |
| Flash Point(°C) | 107℃ |
| Boil Point(°C) | 215-225 °C |
| Melt Point(°C) | 8°C |
| Molecular Weight | 174.190 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 174.089 Da |
| Monoisotopic Mass | 174.089 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Linchuan Cong, Yupeng Wu, Nan Lin, Xinxin Li, Fangbing Liu, Fuyu Han, Jin Yang, Ciduo Wang, Haibo Lin. (2024) Boosting decarboxylation of monomethyl adipate coupling to dimethyl sebacate through Pt electrode at high current density. CHEMICAL ENGINEERING JOURNAL, 480 (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, 205 (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, 281 (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). |
| 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). |
| 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). |
| 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, 143 (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). |
| 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, 2 (182). |
| 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, 64 (10): (4256–4263). |
| 11. 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, 133 (100). |
| 12. 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, |
| 13. 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, 12 (32): (12086-12100). |
| 14. 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, 465 (133475). |