3-(4-Methoxyphenyl)propionaldehyde - ≥95% , CAS No.20401-88-1

CAS: 20401-88-1 Cat. No.: M122414 Peso molecular: 164.2 Número EC: 686-908-3

GRADE & PURITY ≥95%

Synonyms

AKOS010077097 | DTXSID60456100 | EN300-1703976 | ZOXCMZXXNOSBHU-UHFFFAOYSA-N | BENZENEPROPANAL, 4-METHOXY- | 3-(4-methoxyphenyl)-1-propanal | AS-59079 | FT-0637993 | MFCD00673205 | p-anisyl acetaldehyde | 3-(4-methoxyphenyl) propanal | 3-(4'-Methoxyphenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS010077097 | DTXSID60456100 | EN300-1703976 | ZOXCMZXXNOSBHU-UHFFFAOYSA-N | BENZENEPROPANAL, 4-METHOXY- | 3-(4-methoxyphenyl)-1-propanal | AS-59079 | FT-0637993 | MFCD00673205 | p-anisyl acetaldehyde | 3-(4-methoxyphenyl) propanal | 3-(4'-Methoxyphenyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)CCC=O
• IUPAC Name: 3-(4-methoxyphenyl)propanal
• InChIKey: ZOXCMZXXNOSBHU-UHFFFAOYSA-N
• INCHI: 1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)CCC=O
• WGK Alemania: 3
• Peso molecular: 164.2
• Reaxy-Rn: 2046167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046167&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-hydrogen aldehyde - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.529
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 164.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• 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: 126.000
• 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