Pentamethylbenzaldehyde - ≥96% , CAS No.17432-38-1

CAS: 17432-38-1 Cat. No.: P160747 Fórmula: C₁₂H₁₆O Peso molecular: 176.26 Beilstein Registry Number: 1939310 Número CE: 626-972-1 PubChem CID: 263712

GRADE & PURITY ≥96%

Synonyms

DTXSID00294841 | W-200167 | FT-0609334 | J-800209 | MFCD00015560 | T71927 | AS-62682 | 2,3,4,5,6-Pentamethylbenzaldehyde # | 3,4-Dibenzyloxyphenethylamine hydroxide | SCHEMBL2925279 | Pentamethylbenzaldehyde, >=97.0% | NSC98375 | NSC-98375 | Benzaldehyde,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID00294841 | W-200167 | FT-0609334 | J-800209 | MFCD00015560 | T71927 | AS-62682 | 2,3,4,5,6-Pentamethylbenzaldehyde # | 3,4-Dibenzyloxyphenethylamine hydroxide | SCHEMBL2925279 | Pentamethylbenzaldehyde, >=97.0% | NSC98375 | NSC-98375 | Benzaldehyde,

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 504758212
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758212
• Sorrisos canónicos: CC1=C(C(=C(C(=C1C)C)C=O)C)C
• IUPAC Name: 2,3,4,5,6-pentamethylbenzaldehyde
• InChIKey: RWOZGGOKRKSHKN-UHFFFAOYSA-N
• INCHI: 1S/C12H16O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H,1-5H3
• SMILES isoméricas: CC1=C(C(=C(C(=C1C)C)C=O)C)C
• WGK Alemanha: 3
• PubChem CID: 263712
• Peso molecular: 176.26
• Beilstein: 1939310
• Reaxy-Rn: 1939311

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 Toluene
• Sensibilidade: Air sensitive
• Ponto de ebulição (°C): 144°C/6mmHg
• Ponto de fusão (°C): 149-152°C
• Peso molecular: 176.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• 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