acido 3,4-diidrossi-5-metossi-benzoico - ≥97% , CAS No.3934-84-7

CAS: 3934-84-7 Cat. No.: D332435 Formula: C₈H₈O₅ Peso molecolare: 184.15 Beilstein Registry Number: 2695762 Numero EC: 223-512-8

GRADE & PURITY ≥97%

Synonyms

3,4-Dihydroxy-5-methoxybenzoic acid, AldrichCPR | 5-hydroxyvanillic acid | AKOS005256836 | gallic acid 3-methyl ether | KWCCUYSXAYTNKA-UHFFFAOYSA-N | DS-4064 | methylgallic acid,3-o- | 4,5-dihydroxy-3-methoxybenzoic acid | C05616 | SY101288 | 3-methylgall

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Specifications

Sinonimi

3,4-Dihydroxy-5-methoxybenzoic acid, AldrichCPR | 5-hydroxyvanillic acid | AKOS005256836 | gallic acid 3-methyl ether | KWCCUYSXAYTNKA-UHFFFAOYSA-N | DS-4064 | methylgallic acid,3-o- | 4,5-dihydroxy-3-methoxybenzoic acid | C05616 | SY101288 | 3-methylgall

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Tipo di azione

ACTIVATOR

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504752947

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752947

Sorrisi canonici

COC1=CC(=CC(=C1O)O)C(=O)O

IUPAC Name

3,4-dihydroxy-5-methoxybenzoic acid

InChIKey

KWCCUYSXAYTNKA-UHFFFAOYSA-N

INCHI

1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)

Isomeri SMILES

COC1=CC(=CC(=C1O)O)C(=O)O

Peso molecolare

184.15

Beilstein

2695762

Reaxy-Rn

2695762

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: M-methoxybenzoic acids and derivatives Methoxyphenols Benzoic acids Phenoxy compounds Methoxybenzenes Catechols Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Catechol - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• External Descriptors: catechols - benzoic acids

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol and ethyl acetate.
• Indice di rifrazione: n20D1.63 (Predicted)
• Punto di ebollizione (°C): 433.72° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 216-218° C
• Peso molecolare: 184.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 184.037 Da
• Monoisotopic Mass: 184.037 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 3934-84-7, the molecular formula is C8H8O5, and the molecular weight is 184.15 g/mol. InChIKey KWCCUYSXAYTNKA-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.