Mesitaldehyde - ≥95% , CAS No.487-68-3

CAS: 487-68-3 Cat. No.: M109959 Fórmula: C₁₀H₁₂O Peso molecular: 148.2 Beilstein Registry Number: 1364114 Número EC: 207-662-1

CALIDAD & PUREZA ≥95%

Synonyms

Isodural|2,6-Trimethylbenzaldehyde|b-Isodural|Mesitylenecarboxaldehyde|Aldehydomesitylene|2,4,6-TRIMETHYLBENZALDEHYDE|2,4,6-trimethyl-benzaldehyde|mesityl aldehyde|2-Mesitylenecarboxaldehyde|Mesitaldehyde|Mesitylaldehyde|Benzaldehyde, 2,4,6-trimethyl-|Benzaldehyde,4,6-trimethyl-|2-Formyl-1,3,5-trimethylbenzene

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

Isodural | 2,6-Trimethylbenzaldehyde | b-Isodural | Mesitylenecarboxaldehyde | Aldehydomesitylene | 2,4,6-TRIMETHYLBENZALDEHYDE | 2,4,6-trimethyl-benzaldehyde | mesityl aldehyde | 2-Mesitylenecarboxaldehyde | Mesitaldehyde | Mesitylaldehyde | Benzaldehyde, 2,4,6-trimethyl- | Benzaldehyde,4,6-trimethyl- | 2-Formyl-1,3,5-trimethylbenzene

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488181097

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181097

Sonrisas canónicas

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

IUPAC Name

2,4,6-trimethylbenzaldehyde

InChIKey

HIKRJHFHGKZKRI-UHFFFAOYSA-N

INCHI

1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3

Isómeros SMILES

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

WGK Alemania

3

RTECS

CU8500000

Peso molecular

148.2

Beilstein

1364114

Reaxy-Rn

1364114

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364114&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: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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: Soluble in Chloroform
• Sensibilidad: light & Air sensitive
• Punto de congelación (°C): 11 °C
• Índice de refracción: 1.553
• Punto de inflamación (°F): 222.8 °F
• Punto de inflamación (°C): 106 °C
• Punto de ebullición (°C): 237°C
• Punto de fusión (°C): 11°C
• Peso molecular: 148.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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