Diglycolic Acid - ≥98% , CAS No.110-99-6

CAS: 110-99-6 Cat. No.: D155445 분자식: C₄H₆O₅ 분자량: 134.09 Beilstein Registry Number: 1072120 EC 번호: 203-823-5

GRADE & PURITY ≥98%

Synonyms

J-002501 | MFCD00004309 | DTXSID4041575 | InChI=1/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8 | 2-(carboxymethoxy)acetic acid | Diglycolic acid, 98% | DTXCID2021575 | Oxydiacetic acid | 3-Oxapentanedioic acid | Acetic acid, 2,2'-oxybis- | S4651635E0 |

Storage

Room temperature

Shipped In

Normal

개요

Diglycolic acid was used in the preparation of needle-like aragonite particles from calcium nitrate aqueous solutions. It is also used in the synthesis of N-interlinked imipramines which show apoptotic activity against malignant cells as well as signs of combating BurkittÂ’s lymphoma.

Specifications

동의어

J-002501 | MFCD00004309 | DTXSID4041575 | InChI=1/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8 | 2-(carboxymethoxy)acetic acid | Diglycolic acid, 98% | DTXCID2021575 | Oxydiacetic acid | 3-Oxapentanedioic acid | Acetic acid, 2,2'-oxybis- | S4651635E0 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Diglycolate has antithrombotic properties and can induce vasodilation. It inhibits succinate dehydrogenase activity in human proximal tubular cells.

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488180685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180685
• 정식 스마일: C(C(=O)O)OCC(=O)O
• IUPAC Name: 2-(carboxymethoxy)acetic acid
• InChIKey: QEVGZEDELICMKH-UHFFFAOYSA-N
• INCHI: 1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
• 이성체 SMILES: C(C(=O)O)OCC(=O)O
• WGK 독일: 3
• RTECS: AJ1530000
• 분자량: 134.09
• Beilstein: 1072120
• Reaxy-Rn: 1072117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in water, methanol
• 녹는점(°C): 144 °C
• 분자량: 134.090 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 134.022 Da
• Monoisotopic Mass: 134.022 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 104.000
• 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

참고 문헌

1. Wang Hanwen, Wang Ying, Wen Ping, Ma Lin, Fan Mingjin, Dong Rui, Zhang Chunhua.  (2023)  Low-viscosity oligoether esters (OEEs) as high-efficiency lubricating oils: Insight on their structure–lubricity relationship.  Friction,      [PMID:] [10.1007/s40544-023-0765-3]

2. Han Hu, Chen Lin, Qingyang Luan, Xiaoyu Jiang, Xiaoqin Zhang, Qianfeng Wang, Yunxiao Dong, Jing Wei, Jinggang Wang, Jin Zhu.  (2023)  Synergistic Modification of PBT with Diglycolic Acid and Succinic Acid: Fast Crystallization and High Strength-Toughness Copolyesters for Environmentally Degradable Packaging.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c03394]

3. Yiwen Wang, Yafei He, Aijun Gong, Lina Qiu, Min Zhang, Mory Traore, Xiaoning Zhan, You Li, Yuzhen Bai, Yang Liu, Ge Gao, Weiyu Zhao.  (2023)  Selective recovery of rare earth metals from acid mine drainage by pyrrolidine diglycolamide silica column.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110091]

4. Fukai Li, Aijun Gong, Lina Qiu, Weiwei Zhang, Jingrui Li, Zhe Liu.  (2019)  Diglycolamide-grafted Fe3O4/polydopamine nanomaterial as a novel magnetic adsorbent for preconcentration of rare earth elements in water samples prior to inductively coupled plasma optical emission spectrometry determination.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.01.004]

5. Yunxiao Dong, Yong Yang, Jinggang Wang, Qianfeng Wang, Xiaoqin Zhang, Han Hu, Jin Zhu.  (2024)  Study on the Synthesis and Properties of Biodegradable Poly(butylene diglycolate) Polyester.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c07667]

6. Panpan Yang, Sheng Lu, Yuemiao Zhang, Xiaoting Lu, Pengfei Huang, Kun Wu, Jun Shi, Yi Fu.  (2025)  High Thermal Conductivity and Recycling of Main-Chain Liquid Crystal Polyesters Based on π–π Stacking.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.5c01317]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 110-99-6, the molecular formula is C4H6O5, and the molecular weight is 134.09 g/mol. InChIKey QEVGZEDELICMKH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.