6-Methylsalicylaldehyde - ≥95% , CAS No.18362-36-2

CAS: 18362-36-2 Cat. No.: M587799 Fórmula: C₈H₈O₂ Peso molecular: 136.15 Número CE: 872-515-6

GRAU & PUREZA ≥95%

Synonyms

FT-0746109 | 2-Hydroxy-6-methylbenzaldehyde | 2-hydroxy-6-methyl-benzaldehyde | BB 0261353 | AMY7282 | SY026634 | Benzaldehyde, 2-hydroxy-6-methyl- | AKOS016003528 | DTXSID30342864 | EN300-177173 | 2,6-Cresotaldehyde | MB14829 | A847085 | m-cresol formald

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

FT-0746109 | 2-Hydroxy-6-methylbenzaldehyde | 2-hydroxy-6-methyl-benzaldehyde | BB 0261353 | AMY7282 | SY026634 | Benzaldehyde, 2-hydroxy-6-methyl- | AKOS016003528 | DTXSID30342864 | EN300-177173 | 2,6-Cresotaldehyde | MB14829 | A847085 | m-cresol formald

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528762498

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762498

Sorrisos canónicos

CC1=C(C(=CC=C1)O)C=O

IUPAC Name

2-hydroxy-6-methylbenzaldehyde

InChIKey

ZRUOTKQBVMWMDK-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-6-3-2-4-8(10)7(6)5-9/h2-5,10H,1H3

SMILES isoméricas

CC1=C(C(=CC=C1)O)C=O

CAS alternativo

18362-36-2

Peso molecular

136.15

Reaxy-Rn

1931525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931525&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: 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 - 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Peso molecular: 136.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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