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

CAS: 74495-74-2 Cat. No.: H768593 Formula: C₈H₅D₃O₃ Peso molecolare: 155.17 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98 atom% D,≥98%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C([2H])([2H])OC1=C(C=CC(=C1)C=O)O
• CAS alternativo: 121-33-5(Unlabeled)
• Peso molecolare: 155.17

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: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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