3-Hydroxy-4-methylbenzoic Acid - ≥98% , CAS No.586-30-1

CAS: 586-30-1 Cat. No.: H123413 Formula: C₈H₈O₃ Peso molecolare: 152.15 Beilstein Registry Number: 1936497 Numero EC: 209-571-2

GRADE & PURITY ≥98%

Synonyms

3-Hydroxy-4-methylbenzoic acid | 3-Hydroxy-4-methyl-benzoic acid | AC-2833 | Methyl 4-Methylvalerate, 97+% | AM87080 | SY003068 | 3-Hydroxy-4-methyl benzoic acid | 4-methyl-3-hydroxybenzoic acid | InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,1

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

3-Hydroxy-4-methylbenzoic acid | 3-Hydroxy-4-methyl-benzoic acid | AC-2833 | Methyl 4-Methylvalerate, 97+% | AM87080 | SY003068 | 3-Hydroxy-4-methyl benzoic acid | 4-methyl-3-hydroxybenzoic acid | InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,1

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488184163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184163
• Sorrisi canonici: CC1=C(C=C(C=C1)C(=O)O)O
• IUPAC Name: 3-hydroxy-4-methylbenzoic acid
• InChIKey: ZQLCWPXBHUALQC-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)
• Isomeri SMILES: CC1=C(C=C(C=C1)C(=O)O)O
• WGK Germania: 1
• Peso molecolare: 152.15
• Beilstein: 1936497
• Reaxy-Rn: 1936497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1936497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Benzoic acids Ortho cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Benzoic acid - Benzoyl - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (slightly).
• Sensibilità: Air Sensitive
• Punto di fusione (°C): 209-212°C
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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 586-30-1, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey ZQLCWPXBHUALQC-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.