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

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

CALIDAD & PUREZA for Synthesis

Synonyms

4-Hydroxy-3-methoxybenzaldehyde

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

4-Hydroxy-3-methoxybenzaldehyde

Especificaciones y pureza

for synthesis

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Grado

for Synthesis

Nombres e identificadores

Pubchem Sid

504750476

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

1

RTECS

YW5775000

PubChem CID

1183

Peso molecular

152.15

Beilstein

472792

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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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TRIM24 Tchem Transcription intermediary factor 1-alpha (2 Activities)

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TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (2 Activities)

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ALDH5A1 Tclin Succinate semialdehyde dehydrogenase (19 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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Candida tropicalis (8381 Activities)

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Meloidogyne incognita (862 Activities)

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Mus musculus (284745 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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RAW264.7 (28094 Activities)

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RBL-2H3 (1162 Activities)

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Vero (26788 Activities)

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Rdl GABA receptor subunit (76 Activities)

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Fusarium verticillioides (912 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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BCHE Cholinesterase (8742 Activities)

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Curvularia lunata (722 Activities)

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Fusarium incarnatum (10 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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PNLIP Pancreatic triacylglycerol lipase (476 Activities)

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Trypanosoma congolense (178 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 9g/L
• Sensibilidad: Light sensitive；Air and moisture sensitive
• Punto de inflamación (°F): 307°F
• Punto de inflamación (°C): 153°C
• Punto de ebullición (°C): 170 °C/15 mmHg
• Punto de fusión (°C): 81-83°C
• Peso molecular: 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

Preguntas frecuentes

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.