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 CE: 207-662-1

GRAU & 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

Especificações

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488181097

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform
• Sensibilidade: light & Air sensitive
• Ponto de congelamento (°C): 11 °C
• Índice de refração: 1.553
• Ponto de inflamação (°F): 222.8 °F
• Ponto de inflamação (°C): 106 °C
• Ponto de ebulição (°C): 237°C
• Ponto de fusão (°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