3-Hydroxybenzyl alcohol - ≥99%(GC) , CAS No.620-24-6

CAS: 620-24-6 Cat. No.: H137304 Molecular Weight: 124.14 Beilstein Registry Number: 6(4)2060 EC Number: 210-633-6

GRADE & PURITY ≥99%(GC)

Synonyms

3-hydroxymethyl phenol | 3-hydroxymethylphenol | 3-Hydroxymethyl-phenol | FT-0615835 | 3-(Hydroxymethyl)phenol | 3-(hydroxymethyl)-phenol | A833547 | MFCD00004643 | 3-Hydroxybenzylalcohol | 3-Hydroxybenzenemethanol | CHEBI:17069 | 3-hydroxy benzyl alcohol

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Hydroxybenzyl alcohol is used as an intermediate to produce other chemicals like 3-Oxy-1'-acetoxy-1-methyl-benzol.

Specifications

Synonyms

3-hydroxymethyl phenol | 3-hydroxymethylphenol | 3-Hydroxymethyl-phenol | FT-0615835 | 3-(Hydroxymethyl)phenol | 3-(hydroxymethyl)-phenol | A833547 | MFCD00004643 | 3-Hydroxybenzylalcohol | 3-Hydroxybenzenemethanol | CHEBI:17069 | 3-hydroxy benzyl alcohol

Specifications & Purity

≥99%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488179489
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179489
• Canonical Smiles: C1=CC(=CC(=C1)O)CO
• IUPAC Name: 3-(hydroxymethyl)phenol
• InChIKey: OKVJCVWFVRATSG-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
• Isomeric SMILES: C1=CC(=CC(=C1)O)CO
• WGK Germany: 3
• RTECS: DA4796700
• Molecular Weight: 124.14
• Beilstein: 6(4)2060
• Reaxy-Rn: 2041500
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041500&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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water、methanol.
• Sensitivity: air sensitive
• Boil Point(°C): 123 °C/0.7 mmHg
• Melt Point(°C): 70.0 to 73.0 °C
• Molecular Weight: 124.140 g/mol
• XLogP3: 0.500
• 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. Xueyan Huang, Lan Zhang, Fan Zheng, Yanpeng Fang, Feng Gao, Qian Chen, Qinghai Zeng, Wenbin Zeng.  (2023)  Debut of a novel AIE-based fluorescent probe as tyrosinase tracer to image skin pigmentary disorders.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2023.133889]