3-Methylsalicylaldehyde - ≥98%(GC) , CAS No.824-42-0

CAS: 824-42-0 Cat. No.: M124154 Summenformel: C₈H₈O₂ Molekulargewicht: 136.15 Beilstein Registry Number: 1099377 EG-Nummer: 628-580-6

GRADE & PURITY ≥98%(GC)

Synonyms

2-Hydroxy-3-methyl benzaldehyde | AM20041207 | SCHEMBL172956 | 2-Hydroxy-3-methylbenzaldehyde, 98% | Benzaldehyde, hydroxy-3-methyl- | Q27103078 | 2-hydroxyl-3-methylbenzaldehyde | bmse000843 | 2,3-Cresotaldehyde | M2270 | MFCD00040798 | Z406682006 | AKOS

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Application

2-Hydroxy-3-methylbenzaldehyde could be a useful antitumor and antiproliferative agent.

Specifications

Synonyme

2-Hydroxy-3-methyl benzaldehyde | AM20041207 | SCHEMBL172956 | 2-Hydroxy-3-methylbenzaldehyde, 98% | Benzaldehyde, hydroxy-3-methyl- | Q27103078 | 2-hydroxyl-3-methylbenzaldehyde | bmse000843 | 2,3-Cresotaldehyde | M2270 | MFCD00040798 | Z406682006 | AKOS

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

508809035

Kanonisches Lächeln

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

IUPAC Name

2-hydroxy-3-methylbenzaldehyde

InChIKey

IPPQNXSAJZOTJZ-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

136.15

Beilstein

1099377

Reaxy-Rn

1099377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Ortho cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - O-cresol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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: phenols - benzaldehydes

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.5610 - 1.5650
• Flammpunkt (°F): 188.6 °F
• Flammpunkt (°C): 87°C
• Siedepunkt (°C): 209°C
• Schmelzpunkt (°C): 17°C
• Molekulargewicht: 136.150 g/mol
• XLogP3: 2.200
• 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