2,6-Dimethylbenzaldehyde - ≥97%(GC) , CAS No.1123-56-4

CAS: 1123-56-4 Cat. No.: D124142 Fórmula: C₉H₁₀O Peso molecular: 134.18 Beilstein Registry Number: 7(3)1071 Número EC: 877-950-5

GRADE & PURITY ≥97%(GC)

Synonyms

PS-6110 | STL556993 | DTXSID40342693 | 2,6-Dimethylbenzaldehyde, 97% | F8889-9343 | InChI=1/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H | 2,6-Dimethylbenzaldehyde | 2,6-DiMethyl-Benzaldehyde | AM20050097 | D3681 | 2,6-Dimethyl benzaldehyde | SCHEMBL66979 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

PS-6110 | STL556993 | DTXSID40342693 | 2,6-Dimethylbenzaldehyde, 97% | F8889-9343 | InChI=1/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H | 2,6-Dimethylbenzaldehyde | 2,6-DiMethyl-Benzaldehyde | AM20050097 | D3681 | 2,6-Dimethyl benzaldehyde | SCHEMBL66979 |

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488190447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190447

Sonrisas canónicas

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

IUPAC Name

2,6-dimethylbenzaldehyde

InChIKey

QOJQBWSZHCKOLL-UHFFFAOYSA-N

INCHI

1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

134.18

Beilstein

7(3)1071

Reaxy-Rn

907019

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907019&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: m-Xylenes Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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 inflamación (°F): 204.8 °F
• Punto de inflamación (°C): 96 °C
• Punto de ebullición (°C): 230°C
• Punto de fusión (°C): 27-30°C
• Peso molecular: 134.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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