4-hidroxi-2,5-dimetilbenzaldehído - ≥98% , CAS No.85231-15-8

CAS: 85231-15-8 Cat. No.: H195321 Peso molecular: 150.17 Número EC: 848-945-5

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, 4-hydroxy-2,5-dimethyl- | J-515474 | MFCD03411744 | CL8248 | AC-23744 | 4-hydroxy-2,5-dimethylbenzaldehyde | 4-Hydroxy-2,5-dimethyl-benzaldehyde | AKOS006278887 | XLIMLVMYIYSMIQ-UHFFFAOYSA-N | Z1198162095 | 2,5-DIMETHYL-4-HYDROXYBENZALDEHYDE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Benzaldehyde, 4-hydroxy-2, 5-dimethyl- | J-515474 | MFCD03411744 | CL8248 | AC-23744 | 4-hydroxy-2, 5-dimethylbenzaldehyde | 4-Hydroxy-2, 5-dimethyl-benzaldehyde | AKOS006278887 | XLIMLVMYIYSMIQ-UHFFFAOYSA-N | Z1198162095 | 2, 5-DIMETHYL-4-HYDROXYBENZALDEHYDE

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(=C(C=C1O)C)C=O
• IUPAC Name: 4-hydroxy-2,5-dimethylbenzaldehyde
• InChIKey: XLIMLVMYIYSMIQ-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-6-4-9(11)7(2)3-8(6)5-10/h3-5,11H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1O)C)C=O
• Peso molecular: 150.17
• Reaxy-Rn: 1933170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1933170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes
        • Level5 Xylenols
          • Level6 p-Xylenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Xylenols
• Direct Parent: p-Xylenols
• Alternative Parents: Hydroxybenzaldehydes p-Xylenes Ortho cresols Meta cresols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - P-xylenol - Benzaldehyde - Benzoyl - M-cresol - O-cresol - P-xylene - Aryl-aldehyde - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-xylenols. These are aromatic compounds that contain a p-xylenol moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions, and at least one 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

• Peso molecular: 150.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• 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