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

GRADE & PURITY ≥95%

Synonyms

SY035572 | NSC29094 | NSC-29094 | W-106040 | BRN 1364114 | CAS-487-68-3 | Isodural | Mesitaldehyde, Vetec(TM) reagent grade, 98% | AKOS000120393 | 2,6-Trimethylbenzaldehyde | DTXCID7030694 | MFCD00003341 | Tox21_303703 | b-Isodural | Mesitylenecarboxaldeh

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY035572 | NSC29094 | NSC-29094 | W-106040 | BRN 1364114 | CAS-487-68-3 | Isodural | Mesitaldehyde, Vetec(TM) reagent grade, 98% | AKOS000120393 | 2,6-Trimethylbenzaldehyde | DTXCID7030694 | MFCD00003341 | Tox21_303703 | b-Isodural | Mesitylenecarboxaldeh

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

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

Referências

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