2,3-Dimethyl-4-methoxybenzaldehyde - ≥99% , CAS No.38998-17-3

CAS: 38998-17-3 Cat. No.: D124134 Summenformel: CH₃OC₆H₂(CH₃)₂CHO Molekulargewicht: 164.2 Beilstein Registry Number: 1943017 EG-Nummer: 254-241-3

GRADE & PURITY ≥99%

Synonyms

4-Methoxy-2,3-dimethylbenzaldehyde | 4-methoxy-2,3-dimethyl-benzaldehyde | Benzaldehyde, 4-methoxy-2,3-dimethyl- | 4-Methoxy-2,3-dimethylbenzaldehyde # | 2,3-Dimethyl-p-anisaldehyde | CL8242 | 2,3-Dimethyl-para-anisaldehyde | A824370 | DTXSID80192275 | Z1

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Product Application:

2,3-Dimethyl-4-methoxybenzaldehyde (2,3-Dimethylanisaldehyde) was used to prepare β-aryl-β-ketophosphonates.

Specifications

Synonyme

4-Methoxy-2,3-dimethylbenzaldehyde | 4-methoxy-2,3-dimethyl-benzaldehyde | Benzaldehyde, 4-methoxy-2,3-dimethyl- | 4-Methoxy-2,3-dimethylbenzaldehyde # | 2,3-Dimethyl-p-anisaldehyde | CL8242 | 2,3-Dimethyl-para-anisaldehyde | A824370 | DTXSID80192275 | Z1

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488190583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190583
• Kanonisches Lächeln: CC1=C(C=CC(=C1C)OC)C=O
• IUPAC Name: 4-methoxy-2,3-dimethylbenzaldehyde
• InChIKey: MAFDJCNDRCNZFM-UHFFFAOYSA-N
• INCHI: 1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3
• Isomere SMILES: CC1=C(C=CC(=C1C)OC)C=O
• WGK Deutschland: 3
• Molekulargewicht: 164.2
• Beilstein: 1943017
• Reaxy-Rn: 1943017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943017&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: o-Xylenes Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Xylene - O-xylene - Phenoxy compound - Aryl-aldehyde - Alkyl aryl ether - Ether - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Schmelzpunkt (°C): 52-55°C
• Molekulargewicht: 164.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 156.000
• 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