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

CAS: 4383-05-5 Cat. No.: H157332 分子式: C₈H₁₀O₃ 分子量: 154.17 Beilstein Registry Number: 6(4)7378 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488185508
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488185508
• カノニカル・スマイル: 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
• 異性体SMILES: COC1=CC=CC(=C1O)CO
• 分子量: 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
    • 分類 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Light sensitive
• 沸点（°C）: 162°C/12mmHg(lit.)
• 融点（°C）: 63 °C
• 分子量: 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