Caramel - Reagent grade , CAS No.8028-89-5

CAS: 8028-89-5 Cat. No.: C304687 Fórmula: C₇H₁₀O₂ Peso molecular: 126.15 Número CE: 232-435-9

GRADE & PURITY Reagent Grade

Synonyms

3,5-Dimethyl-1, 2-cyclopentanedione | NCGC00256668-01 | CARAMEL COLOR A | W-108275 | DTXCID8027660 | AS-61756 | EN300-2009849 | AKOS015898994 | SCHEMBL873396 | MFCD00143076 | 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9CI | D95710 | 3,5-dimethyl-cyclopen

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3,5-Dimethyl-1, 2-cyclopentanedione | NCGC00256668-01 | CARAMEL COLOR A | W-108275 | DTXCID8027660 | AS-61756 | EN300-2009849 | AKOS015898994 | SCHEMBL873396 | MFCD00143076 | 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9CI | D95710 | 3,5-dimethyl-cyclopen

Especificações e pureza

Reagent grade

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Reagent Grade

Nomes e identificadores

• Pubchem Sid: 488183515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183515
• Sorrisos canónicos: CC1CC(C(=O)C1=O)C
• IUPAC Name: 3,5-dimethylcyclopentane-1,2-dione
• InChIKey: MIDXCONKKJTLDX-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
• SMILES isoméricas: CC1CC(C(=O)C1=O)C
• Peso molecular: 126.15
• Reaxy-Rn: 2205836
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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

Propriedades químicas e físicas

• Peso molecular: 126.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Zhen-Wen Zhang, Ao-Jun Qiu, Geng-Jin-Sheng Cheng, Yu Fan, Yu Xiao, Yan-Zhu Liu, Qian-Yong Cao.  (2025)  A novel Eu(III)-based nano-aggregation for ratiometric fluorescence sensing of tetracycline.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114507]

2. Yanjia Guo, Juan Lu, Wenzhuo Wang, Hanyue Jiang, Guangping Ma, Pengfei Han, Li Tian, Tengying Ma.  (2025)  Polymer donor PM6 assisted solid-state electrochemiluminescence sensor of copper-doped biomass carbon quantum dots for ultrasensitive detection of rhodamine B in chili powder.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115187]

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 8028-89-5, the molecular formula is C7H10O2, and the molecular weight is 126.15 g/mol. InChIKey MIDXCONKKJTLDX-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.