2-Hydroxy-3,5-dimethylbenzaldehyde - ≥97% , CAS No.24623-61-8

CAS: 24623-61-8 Cat. No.: H332442 Summenformel: C₉H₁₀O₂ Molekulargewicht: 150.18 EG-Nummer: 607-412-5

GRADE & PURITY ≥97%

Synonyms

J-015603 | SCHEMBL2788053 | 2-hydroxy-3,5-dimethylbenzaldehyde, AldrichCPR | DTXSID40406385 | AS-39491 | InChI=1/C9H10O2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-5,11H,1-2H | 3,5-dimethyl-2-hydroxybenzaldehyde | Z336080438 | MFCD05625710 | EN300-200897 | 2-hydroxy-3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

J-015603 | SCHEMBL2788053 | 2-hydroxy-3,5-dimethylbenzaldehyde, AldrichCPR | DTXSID40406385 | AS-39491 | InChI=1/C9H10O2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-5,11H,1-2H | 3,5-dimethyl-2-hydroxybenzaldehyde | Z336080438 | MFCD05625710 | EN300-200897 | 2-hydroxy-3

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

2-hydroxy-3,5-dimethylbenzaldehyde

InChIKey

DSXKMMAQDSAZAC-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-5,11H,1-2H3

Isomere SMILES

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

Molekulargewicht

150.18

Reaxy-Rn

2247043

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2247043&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Xylenols
• Alternative Parents: Hydroxybenzaldehydes m-Xylenes Para cresols Ortho cresols Benzoyl derivatives Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Xylenol - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - M-xylene - O-cresol - P-cresol - Phenol - Aryl-aldehyde - Vinylogous acid - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as xylenols. These are aromatic compounds that contain a xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups, 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: n20D1.59 (Predicted)
• Siedepunkt (°C): 227.38° C at 760 (Predicted)
• Molekulargewicht: 150.170 g/mol
• XLogP3: 2.300
• 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