2,4-Dihydroxy-6-methylbenzaldehyde - ≥98% , CAS No.487-69-4

CAS: 487-69-4 Cat. No.: D589243 Peso molecular: 152.15 Número EC: 624-460-2

GRADE & PURITY ≥98%

Synonyms

beta-Resorcylaldehyde, 6-methyl- | CHEBI:155863 | EN300-111362 | Q27251742 | 4-Formyl-5-methylresorcinol | A871881 | STK040201 | MFCD00033852 | Z1255461254 | NSC72346 | NSC-72346 | 15U7JE2JVK | Orcylaldehyde | 5.BETA.-CHOL-8(14)-ENIC ACID, 3.ALPHA.,12.ALP

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

beta-Resorcylaldehyde, 6-methyl- | CHEBI:155863 | EN300-111362 | Q27251742 | 4-Formyl-5-methylresorcinol | A871881 | STK040201 | MFCD00033852 | Z1255461254 | NSC72346 | NSC-72346 | 15U7JE2JVK | Orcylaldehyde | 5.BETA.-CHOL-8(14)-ENIC ACID, 3.ALPHA., 12.ALP

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CC(=C1C=O)O)O
• IUPAC Name: 2,4-dihydroxy-6-methylbenzaldehyde
• InChIKey: LJFQTUKKYWDRAT-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,10-11H,1H3
• Isómeros SMILES: CC1=CC(=CC(=C1C=O)O)O
• WGK Alemania: 3
• Peso molecular: 152.15
• Reaxy-Rn: 2045141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045141&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Resorcinols Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Resorcinol - M-cresol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 180-184 °C
• Peso molecular: 152.150 g/mol
• XLogP3: 1.600
• 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: 146.000
• 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