Xanthydrol - ≥98% , CAS No.90-46-0

CAS: 90-46-0 Cat. No.: X106371 Molecular Weight: 198.22 Beilstein Registry Number: 10395 EC Number: 201-996-1 PubChem CID: 72861

GRADE & PURITY ≥98%

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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184722
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184722
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
• WGK Germany: 3
• PubChem CID: 72861
• Molecular Weight: 198.22
• Beilstein: 10395

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (0 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Amine oxidase [flavin-containing] A (0 Activities)

Discover Target: MAOA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: methanol: soluble 50 mg/mL, slightly hazy
• Sensitivity: Light sensitive.
• Melt Point(°C): 124-127°C
• Molecular Weight: 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

References

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]