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

CAS: 17432-38-1 Cat. No.: P160747 Formule: C₁₂H₁₆O Poids moléculaire: 176.26 Beilstein Registry Number: 1939310 Numéro 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

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Specifications

Synonymes

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,

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504758212

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758212

Sourires canoniques

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

Isomères SMILES

CC1=C(C(=C(C(=C1C)C)C=O)C)C

WGK Allemagne

3

PubChem CID

263712

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Toluene
• Sensibilité: Air sensitive
• Point d'ébullition (°C): 144°C/6mmHg
• Point de fusion (°C): 149-152°C
• Poids moléculaire: 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