Vanillin-d3 - ≥98 atom% D,≥98% , CAS No.74495-74-2

CAS: 74495-74-2 Cat. No.: H768593 Summenformel: C₈H₅D₃O₃ Molekulargewicht: 155.17 EG-Nummer: 693-761-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

p-Vanillin-d3 | 4-Hydroxy-3-methoxybenzaldehyde-d3

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Übersicht

Vanillin-d3 (4-Hydroxy-3-methoxybenzaldehyde-d3) is the deuterium marker for vanillin and can be used for isotopic tracing. Vanillin (Zimco) is a natural product extracted from vanilla beans and is commonly used in perfumes, food and pharmaceuticals.

Specifications

Synonyme

p-Vanillin-d3 | 4-Hydroxy-3-methoxybenzaldehyde-d3

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(C=CC(=C1)C=O)O
• IUPAC Name: 4-hydroxy-3-(trideuteriomethoxy)benzaldehyde
• InChIKey: MWOOGOJBHIARFG-FIBGUPNXSA-N
• INCHI: 1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i1D3
• Isomere SMILES: [2H]C([2H])([2H])OC1=C(C=CC(=C1)C=O)O
• Alternative CAS-Nummer: 121-33-5(Unlabeled)
• Molekulargewicht: 155.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 155.170 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.066 Da
• Monoisotopic Mass: 155.066 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 3
• 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