4-Ethoxy-3-methoxybenzaldehyde - ≥98%(GC) , CAS No.120-25-2

CAS: 120-25-2 Cat. No.: E156509 Fórmula: C₁₀H₁₂O₃ Peso molecular: 180.2 Beilstein Registry Number: 8(4)1766 Número EC: 204-382-1

GRADE & PURITY ≥98%(GC)

Synonyms

bmse010097 | FT-0618376 | MFCD00016614 | A853276 | 4-Ethoxy-3-anisaldehyde | SCHEMBL356800 | vanillin ethyl ether | EINECS 204-382-1 | 4-Ethoxy-3-methoxybenzaldehyde, 98% | AKOS000119708 | 4-Ethoxy-3-methoxybenzaldehyde | 4-ethoxy-3-methoxy-benzaldehyde |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

bmse010097 | FT-0618376 | MFCD00016614 | A853276 | 4-Ethoxy-3-anisaldehyde | SCHEMBL356800 | vanillin ethyl ether | EINECS 204-382-1 | 4-Ethoxy-3-methoxybenzaldehyde, 98% | AKOS000119708 | 4-Ethoxy-3-methoxybenzaldehyde | 4-ethoxy-3-methoxy-benzaldehyde |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754120
• Sonrisas canónicas: CCOC1=C(C=C(C=C1)C=O)OC
• IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde
• InChIKey: BERFDQAMXIBOHM-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3
• Isómeros SMILES: CCOC1=C(C=C(C=C1)C=O)OC
• WGK Alemania: 3
• Peso molecular: 180.2
• Beilstein: 8(4)1766
• Reaxy-Rn: 391169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=391169&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 167 °C/13 mmHg
• Punto de fusión (°C): 61 °C
• Peso molecular: 180.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120-25-2, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey BERFDQAMXIBOHM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.