Xanthydrol - ≥96% , CAS No.90-46-0

CAS: 90-46-0 Cat. No.: X494128 分子式: C₁₃H₁₀O₂ 分子量: 198.22 Beilstein Registry Number: 10395 EC番号: 201-996-1 PubChem CID: 72861

GRADE & PURITY ≥96%

Synonyms

H-9000 | Mephenamin forte | Xanthen-9-ol | 9-Hydroxyxanthene | AKOS000120607 | xanthydrol ; 9-Hydroxyxanthene | X0055 | EINECS 201-996-1 | 9-Xanthenol | 9-Xanthydrol | AI3-01536 | MFCD00005057 | Xanthydrol | FT-0621674 | WLN: T C666 BO IVJ EG D1- AT6N DOT

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

H-9000 | Mephenamin forte | Xanthen-9-ol | 9-Hydroxyxanthene | AKOS000120607 | xanthydrol ; 9-Hydroxyxanthene | X0055 | EINECS 201-996-1 | 9-Xanthenol | 9-Xanthydrol | AI3-01536 | MFCD00005057 | Xanthydrol | FT-0621674 | WLN: T C666 BO IVJ EG D1- AT6N DOT

仕様と純度

≥96%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

• パブケム・シド: 504754669
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504754669
• カノニカル・スマイル: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
• IUPAC Name: 9H-xanthen-9-ol
• InChIKey: JFRMYMMIJXLMBB-UHFFFAOYSA-N
• INCHI: 1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H
• 異性体SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
• WGKドイツ: 3
• PubChem CID: 72861
• 分子量: 198.22
• Beilstein: 10395

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Benzenoids Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzenoid - Secondary alcohol - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

関連ターゲット（人間）

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: methanol: soluble 50 mg/mL, slightly hazy
• 感度: Sensitive to light
• 融点（°C）: 124-127°C
• 分子量: 198.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 207.000
• 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. Zhou Jinsen, Liu Cimin, Chen Yong, Luo Xiaoyan, Deng Dongsheng.  (2022)  Determination of Urea in Swimming Pool Water Using High-Performance Liquid Chromatography with Online Postcolumn Derivatization by Xanthydrol.  JOURNAL OF CHROMATOGRAPHIC SCIENCE,  61  (4): (339-346).  [PMID:35357434] [10.1093/chromsci/bmac025]

2. Kai Zhou, Lorenzo Siroli, Francesca Patrignani, Yuanming Sun, Rosalba Lanciotti, Zhenlin Xu.  (2019)  Formation of Ethyl Carbamate during the Production Process of Cantonese Soy Sauce.  MOLECULES,  24  (8): (1474).  [PMID:30991675] [10.3390/molecules24081474]

3. Li Hang, Huamei Yang, Wenliang Ji.  (2024)  Determination of azodicarbonamide in flour samples using high-performance liquid chromatography–tandem mass spectrometry with xanthydrol pre-column derivatisation.  Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,      [PMID:39255369] [10.1080/19440049.2024.2400238]

4. Ruosi Fang, Shuhui Wu, Ting Xia, Jingjin Hu, Jiamin He, Gongnian Xiao.  (2025)  Regulation of ethyl carbamate during Huangjiu fermentation and quality changes by Btn2p.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118175]

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 90-46-0, the molecular formula is C13H10O2, and the molecular weight is 198.22 g/mol. InChIKey JFRMYMMIJXLMBB-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.