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Dimethyl adipate - standard for GC,≥99.5%(GC), high purity , CAS No.627-93-0

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Item Number
D103059
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D103059-5g
5g
2
$31.90

Basic Description

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

Taxonomic Classification

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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name dimethyl hexanedioate
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=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

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

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
E2520047 Certificate of Analysis May 23, 2025 D103059
J1431007 Certificate of Analysis Jul 18, 2022 D103059

Chemical and Physical Properties

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

Citations of This Product

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,  (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). 

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