2-Hydroxybenzyl alcohol - 10mM in DMSO , CAS No.90-01-7

CAS: 90-01-7 Cat. No.: H426756 Molecular Weight: 124.14 Beilstein Registry Number: 1907195 EC Number: 201-960-5

GRADE & PURITY 10mM in DMSO

Synonyms

2-HYDROXYBENZYL ALCOHOL | HMS1920P12 | NSC 3814 | salicylalcohol | salicyl-alcohol | UNII-FA1N0842KB | 2-Hydroxymethyl phenol | 2-Hydroxymethylphenol | 2-hydroxymethyl-phenol | CHEBI:16464 | o-Hydroxybenzyl alcohol | Spectrum4_000991 | DivK1c_000657 | SAL

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

Synonyms

2-HYDROXYBENZYL ALCOHOL | HMS1920P12 | NSC 3814 | salicylalcohol | salicyl-alcohol | UNII-FA1N0842KB | 2-Hydroxymethyl phenol | 2-Hydroxymethylphenol | 2-hydroxymethyl-phenol | CHEBI:16464 | o-Hydroxybenzyl alcohol | Spectrum4_000991 | DivK1c_000657 | SAL

Specifications & Purity

10mM in DMSO

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C(=C1)CO)O
• WGK Germany: 3
• RTECS: DO6430000
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzyl alcohols

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

Associated Targets(Human)

CCRF-CEM (65223 Activities)

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HEK293 (82097 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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L1210 (27553 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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ARG1 Arginase-1 (70 Activities)

Discover Target: ARG1

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Melt Point(°C): 87°C
• Molecular Weight: 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

References

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]

4. Wei Zhang, Ziqiang Xiao, Jiajun Wang, Wenqin Fu, Rong Tan, Donghong Yin.  (2019)  Selective Aerobic Oxidation of Alcohols over Gold-Palladium Alloy Catalysts Using Air at Atmospheric Pressure in Water.  ChemCatChem,  11  (6): (1779-1788).  [PMID:] [10.1002/cctc.201900015]

5. XueYu Tao, ShiXiang Zhou, ZhiMei Xiang, Jie Ma, RuiLin Hou, Yabo Zhu, XianYong Wei.  (2016)  Fabrication of continuous ZrB2 nanofibers derived from boron-containing polymeric precursors.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2016.12.121]

6. Jingying Pan, Jie Fu, Shuguang Deng, Xiuyang Lu.  (2015)  Distribution coefficient of products from lignin oxidative degradation in organic-water systems.  FUEL PROCESSING TECHNOLOGY,      [PMID:] [10.1016/j.fuproc.2015.09.016]

7. Lei Chen, Ning Li, Min-Hua Zong.  (2011)  A glucose-tolerant β-glucosidase from Prunus domestica seeds: Purification and characterization.  PROCESS BIOCHEMISTRY,      [PMID:] [10.1016/j.procbio.2011.10.023]

8. Yuan Feng, Zi-Hao Chen, Yong-Yin Cui, Ming-Yang Zhang, Miao-Qing Sheng, Hui-Jing Li, Yan-Chao Wu.  (2024)  Composite coatings based on silicone-modified polyurethane and marine natural product chlorogentisyl alcohol for marine antifouling.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2024.108906]

9. Huan Chen, Yan Zhao, Zhe Zhang, Bo Niu, Yayun Zhang, Donghui Long.  (2025)  Axial pyridine coordination-induced Co d-orbital rearrangement boosts peroxymonosulfate activation for singlet oxygen evolution in water remediation.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.125873]

10. Chuanshun Feng, Shuo Chen, Linjie Guan, Guoen Zhang, Feng Lin, Qicheng Zhang, Xiaobin Fan, Wenchao Peng, Yang Li.  (2025)  Internal electric field drives barrier-free singlet oxygen generation on metal-free carbon for dual environmental-organic synthesis applications.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.126299]