2-Hydroxybenzyl alcohol - ≥99%,white , CAS No.90-01-7

CAS: 90-01-7 Cat. No.: H1506244 Peso molecular: 124.14 Beilstein Registry Number: 1907195 Número EC: 201-960-5

GRADE & PURITY ≥99%, white

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

2-Hydroxybenzyl alcohol participates in the selective ring opening reaction of 4H-1,3,2-benzodioxasilines. 2-Hydroxybenzyl alcohol was used in gastrodin production via biotransformation by cultured cells of Aspergillus foetidus and Penicillium cyclopium.

Specifications

Especificaciones y pureza

≥99%, white

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)CO)O
• IUPAC Name: 2-(hydroxymethyl)phenol
• InChIKey: CQRYARSYNCAZFO-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
• Isómeros SMILES: C1=CC=C(C(=C1)CO)O
• WGK Alemania: 3
• RTECS: DO6430000
• Peso molecular: 124.14
• Beilstein: 1907195
• Reaxy-Rn: 1907195
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907195&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• External Descriptors: a small molecule

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water;Solubility in Methanol almost transparency;solubility ethanol: soluble 5%, clear to very slightly hazy, colorless to light yellow
• Sensibilidad: Light sensitive；Air sensitive
• Punto de fusión (°C): 87°C
• Peso molecular: 124.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• 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

Referencias

1. An Zhidong, Yang Piaoping, Duan Delong, Li Jiang, Wan Tong, Kong Yue, Caratzoulas Stavros, Xiang Shuting, Liu Jiaxing, Huang Lei, Frenkel Anatoly I., Jiang Yuan-Ye, Long Ran, Li Zhenxing, Vlachos Dionisios G..  (2023)  Highly active, ultra-low loading single-atom iron catalysts for catalytic transfer hydrogenation.  Nature Communications,  14  (1): (1-12).  [PMID:37863924] [10.1038/s41467-023-42337-9]

2. Weiwei Yang, Mao Peng, Ye Lv, Mengya Sun, Jinli Zhang, Wei Li, Yan Fu.  (2023)  Selective electrooxidation of 2-hydroxybenzyl alcohol coupled with H2 production promoted by surface reconstruction of β-Ni(OH)2 nanosheets.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146138]

3. Peng Xie, Wang Zhang, Wugao Wu, Zhuanglin Shen, Mingliang Wang, Yuxiao Lai, Yantao Chen, Zhongfan Jia.  (2022)  Phenoxyl mediators improve enzymatic degradation of organic pollutants: Effect and mechanism.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35750102] [10.1016/j.ijbiomac.2022.06.124]

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