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

CAS: 627-93-0 Cat. No.: D103059 Molecular Weight: 174.19 Beilstein Registry Number: 1707443 EC Number: 211-020-6
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GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99.5%(GC)
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
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
D103059-5g
2

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Why this grade

Standard for GC, ≥99.5%(GC) Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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)
Storage
Room temperature
Shipped In
Normal
Grade
Standard for GC
Purity
≥99.5%(GC)
Names and Identifiers
Canonical SmilesCOC(=O)CCCCC(=O)OC
IUPAC Namedimethyl hexanedioate
InChIKeyUDSFAEKRVUSQDD-UHFFFAOYSA-N
INCHI1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid methyl esters
Alternative Parents Dicarboxylic acids and derivatives  Methyl esters  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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 NumberCertificate TypeDateItem
J1431007Certificate of AnalysisApr 15, 2026 D103059
E2520047Certificate of AnalysisMay 23, 2025 D103059
Chemical and Physical Properties
SensitivityMoisture sensitive.
Refractive Index1.4285
Flash Point(°F)107℃
Flash Point(°C)107℃
Boil Point(°C)215-225 °C
Melt Point(°C)8°C
Molecular Weight174.190 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass174.089 Da
Monoisotopic Mass174.089 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity135.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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,      [PMID:] [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,      [PMID:] [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,      [PMID:] [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).  [PMID:] [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).  [PMID:] [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).  [PMID:] [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,      [PMID:] [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).  [PMID:] [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,      [PMID:] [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,      [PMID:] [10.1021/acs.jced.9b00306]
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,      [PMID:] [10.1016/j.jct.2019.02.006]
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,      [PMID:] [10.1039/D4GC03815K]
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,      [PMID:] [10.1021/acssuschemeng.4c03611]
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,      [PMID:38219588] [10.1016/j.jhazmat.2024.133475]
15. 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,      [PMID:] [10.1016/j.molliq.2019.03.115]
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,      [PMID:] [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,      [PMID:] [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,      [PMID:] [10.1016/j.cej.2025.171314]
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