2,5-Dimethyl-4-methoxybenzaldehyde - ≥98% , CAS No.6745-75-1

CAS: 6745-75-1 Cat. No.: D124188 Summenformel: CH₃OC₆H₂(CH₃)₂CHO Molekulargewicht: 164.2 EG-Nummer: 229-807-8

GRADE & PURITY ≥98%

Synonyms

2,5-Dimethyl-4-anisaldehyde | InChI=1/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H | Benzaldehyde, 4-methoxy-2,5-dimethyl- | STL371647 | 2,5-Dimethyl-4-methoxybenzaldehyde, 98% | SY029670 | 4-Methoxy-2,5-dimethylbenzaldehyde # | 4-Methoxy-2,5-dimethy

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

2,5-Dimethyl-4-methoxybenzaldehyde may be used in chemical synthesis studies.

Specifications

Synonyme

2,5-Dimethyl-4-anisaldehyde | InChI=1/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H | Benzaldehyde, 4-methoxy-2,5-dimethyl- | STL371647 | 2,5-Dimethyl-4-methoxybenzaldehyde, 98% | SY029670 | 4-Methoxy-2,5-dimethylbenzaldehyde # | 4-Methoxy-2,5-dimethy

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508807765

Kanonisches Lächeln

CC1=CC(=C(C=C1OC)C)C=O

IUPAC Name

4-methoxy-2,5-dimethylbenzaldehyde

InChIKey

KYHULTSMPDXSLR-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3

Isomere SMILES

CC1=CC(=C(C=C1OC)C)C=O

WGK Deutschland

3

Molekulargewicht

164.2

Reaxy-Rn

2553967

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2553967&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: p-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 - P-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

• Flammpunkt (°F): >235.4 °F
• Flammpunkt (°C): >113 °C
• Siedepunkt (°C): 147-149°C
• Schmelzpunkt (°C): 31-35°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