Vanillin - for synthesis , CAS No.121-33-5

CAS: 121-33-5 Cat. No.: V431597 Formula: C₈H₈O₃ Peso molecolare: 152.15 Beilstein Registry Number: 472792 Numero EC: 204-465-2 PubChem CID: 1183

QUALITÀ & PUREZZA for Synthesis

Synonyms

4-Hydroxy-3-methoxybenzaldehyde

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

4-Hydroxy-3-methoxybenzaldehyde

Specifiche e purezza

for synthesis

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Grado

per la sintesi

Nomi e identificatori

Pubchem Sid

504750476

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750476

Sorrisi canonici

COC1=C(C=CC(=C1)C=O)O

IUPAC Name

4-hydroxy-3-methoxybenzaldehyde

InChIKey

MWOOGOJBHIARFG-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

Isomeri SMILES

COC1=C(C=CC(=C1)C=O)O

WGK Germania

1

RTECS

YW5775000

PubChem CID

1183

Peso molecolare

152.15

Beilstein

472792

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a small molecule

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 9g/L
• Sensibilità: Light sensitive；Air and moisture sensitive
• Punto di infiammabilità (°F): 307°F
• Punto di infiammabilità (°C): 153°C
• Punto di ebollizione (°C): 170 °C/15 mmHg
• Punto di fusione (°C): 81-83°C
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• 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

Domande frequenti

How is this product shipped?

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

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

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

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

The CAS Number is 121-33-5, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey MWOOGOJBHIARFG-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.