Croconic Acid - ≥95%(HPLC) , CAS No.488-86-8

CAS: 488-86-8 Cat. No.: C153830 分子式: C₅H₂O₅ 分子量: 142.07 Beilstein Registry Number: 8(4)3342 EC番号: 676-473-8

GRADE & PURITY ≥95%(HPLC)

Synonyms

1,2-Dihydroxy-3,4,5-trioxocyclopent-1-ene | 4,5-Dihydroxy-4-cyclopentene-1,2,3-trione # | Crocic acid | Croconic acid, 98% | RBSLJAJQOVYTRQ-UHFFFAOYSA-N | AKOS003621449 | 4,5-dihydroxycyclopent-4-ene-1,2,3-trione | Croconic acid | UNII-6HGY35UXAA | 6HGY35

Storage

Room temperature

Shipped In

Normal

概要

Application：

Croconic acid is used to prepare 1,3-bis-(2-dimethylamino-5-thienyl)croconine by reacting with dimethyl-thiophen-2-yl-amine. It is also used in organic synthesis and employed as a dye for biological research purposes. Further, it is involved in the preparation of ethers such as dimethyl croconate. In addition to this, it acts as a ligand and form coordination complexes with metals such as barium, copper, silver and lead. 

Specifications

同義語

1,2-Dihydroxy-3,4,5-trioxocyclopent-1-ene | 4,5-Dihydroxy-4-cyclopentene-1,2,3-trione # | Crocic acid | Croconic acid, 98% | RBSLJAJQOVYTRQ-UHFFFAOYSA-N | AKOS003621449 | 4,5-dihydroxycyclopent-4-ene-1,2,3-trione | Croconic acid | UNII-6HGY35UXAA | 6HGY35

仕様と純度

≥95%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥95%(HPLC)

名前と識別子

• パブケム・シド: 488190234
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488190234
• カノニカル・スマイル: C1(=C(C(=O)C(=O)C1=O)O)O
• IUPAC Name: 4,5-dihydroxycyclopent-4-ene-1,2,3-trione
• InChIKey: RBSLJAJQOVYTRQ-UHFFFAOYSA-N
• INCHI: 1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H
• 異性体SMILES: C1(=C(C(=O)C(=O)C1=O)O)O
• 分子量: 142.07
• Beilstein: 8(4)3342
• Reaxy-Rn: 2043130
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043130&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Vinylogous acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Vinylogous acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous acids
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Vinylogous acid - Cyclic ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in water and ethanol.
• 感度: light sensitive
• 融点（°C）: 114℃
• 分子量: 142.070 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 141.99 Da
• Monoisotopic Mass: 141.99 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 246.000
• 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

参考文献

1. Xianqi Zhu, Lin Li, Jin Tang, Chunyu Yang, Hao Yu, Kunpeng Liu, Ziyan Zheng, Xinggui Gu, Qingsong Yu, Fu-Jian Xu, Zhihua Gan.  (2021)  Cascade-responsive nano-assembly for efficient photothermal-chemo synergistic inhibition of tumor metastasis by targeting cancer stem cells.  BIOMATERIALS,      [PMID:34890970] [10.1016/j.biomaterials.2021.121305]

2. Jiamei Han, Judun Zheng, Qian Li, Huanle Hong, Jing Yao, Jiao Wang, Robert Chunhua Zhao.  (2024)  An Antibody-directed and Immune Response Modifier-augmented Photothermal Therapy Strategy Relieves Aging via Rapid Immune Clearance of Senescent Cells.  Aging and Disease,      [PMID:38447216] [10.14336/AD.2023.0628-1]

3. Youming Zhu, Xudong Zheng, Guomeng Li, Xi Zhang, Lin Guo, Jinfeng Mei, Zhongyu Li.  (2025)  Fabrication of photo-responsive chitosan imprinted aerogels for selective adsorption and green desorption of dysprosium ions.  PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,      [PMID:] [10.1016/j.psep.2025.01.023]

4. Tongtong Xu, Xudong Zheng, Xi Zhang, GuoMeng Li, Jinfeng Mei, Zhongyu Li.  (2024)  Photothermal Switchable Cellulose Nanocrystals-Graphene Oxide Ionic Imprinted Aerogel for Selective Adsorption and Controlled Desorption of Dysprosium Ions.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c02211]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. 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 488-86-8, the molecular formula is C5H2O5, and the molecular weight is 142.07 g/mol. InChIKey RBSLJAJQOVYTRQ-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.