Guaiacol - ≥98% , CAS No.90-05-1

CAS: 90-05-1 Cat. No.: G112735 Formule: C₇H₈O₂ Poids moléculaire: 124.14 Beilstein Registry Number: 508112 Numéro CE: 201-964-7

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504750391

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

COC1=CC=CC=C1O

WGK Allemagne

1

RTECS

SL7525000

Poids moléculaire

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
• 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: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with carbon tetrachloride, alcohol, chloroform, ether, oils, glacial acetic acid and sodium hydroxide solution. Slightly miscible with water and petroleum ether.
• Sensibilité: Light & Air & Moisture sensitive
• Point de congélation (°C): 28 °C
• Indice de réfraction: 1.543-1.545
• Point d'éclair (°F): 179.6 °F
• Point d'éclair (°C): 82℃
• Point d'ébullition (°C): 205°C
• Point de fusion (°C): 27-29°C
• Poids moléculaire: 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

Foire aux questions

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.