Guaiacol - ≥98% , CAS No.90-05-1

CAS: 90-05-1 Cat. No.: G112735 Formula: C₇H₈O₂ Peso molecolare: 124.14 Beilstein Registry Number: 508112 Numero EC: 201-964-7

GRADE & PURITY ≥98%

Synonyms

o-Hydroxyanisole | Creasote | orthomethoxyphenol | ortho-methoxyphenol | MLS001055375 | NCGC00090827-04 | 3-methoxy-4-hydroxy benzene | GUAIACOL (USP-RS) | Guaiacol, oxidation indicator | ghl.PD_Mitscher_leg0.900 | hydroxyl anisole | Methylcatechol | MFCD

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Guaiacol is a phenolic natural product first isolated from Guaiac resin, as well as the oxidation of lignin. Guaiacol is readily oxidized by the heme iron of peroxidases including the peroxidase of cyclooxygenase (COX) enzymes, hence it serves a reducing co-substrate for COX reactions.1 The color yield per peroxide at 470 nm is 6,650 (M peroxide reduced)-1 cm-1.2,3,4 Two moles of zguaiacol are oxidized for each mole of hydroperoxide reduced by the peroxidase. The resulting guaiacol chromophore can be used for the colorimetric determination of hydroperoxidase activity.
A phenolic natural product and reducing co-substrate for COX reactions.

Specifications

Sinonimi

o-Hydroxyanisole | Creasote | orthomethoxyphenol | ortho-methoxyphenol | MLS001055375 | NCGC00090827-04 | 3-methoxy-4-hydroxy benzene | GUAIACOL (USP-RS) | Guaiacol, oxidation indicator | ghl.PD_Mitscher_leg0.900 | hydroxyl anisole | Methylcatechol | MFCD

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

愈创木酚和2，4，6-三氯苯甲醚是造成葡萄酒软木污染的原因

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504750391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750391

Sorrisi canonici

COC1=CC=CC=C1O

IUPAC Name

2-methoxyphenol

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

INCHI

1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

Isomeri SMILES

COC1=CC=CC=C1O

WGK Germania

1

RTECS

SL7525000

Peso molecolare

124.14

Beilstein

508112

Reaxy-Rn

508112

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508112&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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: a guaiacol

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with carbon tetrachloride, alcohol, chloroform, ether, oils, glacial acetic acid and sodium hydroxide solution. Slightly miscible with water and petroleum ether.
• Sensibilità: Light & Air & Moisture sensitive
• Punto di congelamento (°C): 28 °C
• Indice di rifrazione: 1.543-1.545
• Punto di infiammabilità (°F): 179.6 °F
• Punto di infiammabilità (°C): 82℃
• Punto di ebollizione (°C): 205°C
• Punto di fusione (°C): 27-29°C
• Peso molecolare: 124.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 29.500 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 90-05-1, the molecular formula is C7H8O2, and the molecular weight is 124.14 g/mol. InChIKey LHGVFZTZFXWLCP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.