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

CAS: 6745-75-1 Cat. No.: D124188 Formula: CH₃OC₆H₂(CH₃)₂CHO Peso molecolare: 164.2 Numero EC: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508807765

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • 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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di ebollizione (°C): 147-149°C
• Punto di fusione (°C): 31-35°C
• Peso molecolare: 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