2-Hydroxy-3-methoxybenzyl alcohol - ≥98% , CAS No.4383-05-5

CAS: 4383-05-5 Cat. No.: H157332 Formula: C₈H₁₀O₃ Molecular Weight: 154.17 Beilstein Registry Number: 6(4)7378 EC Number: 224-488-1

GRADE & PURITY ≥98%

Synonyms

DTXSID80195948 | Tetrahydro-4H-pyran-4-ol | o-(Hydroxymethyl)guaiacol | EN300-698225 | InChI=1/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H | Acetic acid,2,2'-[methylenebis(thio)]bis- | EINECS 224-488-1 | 1,1-bis(diphenylphosphino)methane | AM2004

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID80195948 | Tetrahydro-4H-pyran-4-ol | o-(Hydroxymethyl)guaiacol | EN300-698225 | InChI=1/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H | Acetic acid,2,2'-[methylenebis(thio)]bis- | EINECS 224-488-1 | 1,1-bis(diphenylphosphino)methane | AM2004

Specifications & Purity

≥98%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185508
• Canonical Smiles: COC1=CC=CC(=C1O)CO
• IUPAC Name: 2-(hydroxymethyl)-6-methoxyphenol
• InChIKey: OSZHSESNQIMXMZ-UHFFFAOYSA-N
• INCHI: 1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3
• Isomeric SMILES: COC1=CC=CC(=C1O)CO
• Molecular Weight: 154.17
• Beilstein: 6(4)7378
• Reaxy-Rn: 1867792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867792&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzyl alcohols Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Benzyl alcohol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Primary alcohol - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Light sensitive
• Boil Point(°C): 162°C/12mmHg(lit.)
• Melt Point(°C): 63 °C
• Molecular Weight: 154.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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