Vanillin-13C6 | CAS No. 201595-58-6

Vanillin-13C6

Basic Information

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CAS Number

201595-58-6

Molecular Formula

C213C6H8O3

Molecular Weight

158.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i2+1,3+1,4+1,6+1,7+1,8+1

InChIKey

MWOOGOJBHIARFG-BOCFXHSMSA-N

LogP

1.2133

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

135

Synonyms & References

English

Vanillin -13C6
Vanillin
4-hydroxy-3-methoxybenzaldehyde
4-Hydroxy-m-anisaldehyde-13C6
Lioxin-13C6
p-Vanillin-13C6
Rhovanil-13C6
Vanillaldehyde-13C6
Vanillic Aldehyde-13C6
AKOS030241717
J-013066
Vanillin-(phenyl-13C6), 99 atom % 13C
CS-0541832
4-Hydroxy-3-methoxy(~13~C_6_)benzaldehyde
201595-58-6
Vanillin-13C6
4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
4-Hydroxy-3-methoxybenzaldehyde-13C6
4-Hydroxy-3-methoxybenzaldehyde-1,2,3,4,5,6-13C6
HY-N0098S2
2-Methoxy-4-formylphenol-13C6
Benzaldehyde-1,2,3,4,5,6-13C6, 4-hydroxy-3-methoxy- (9CI)
DTXSID50745797

MDL Number

MFCD00006942

FAQ

What are the physical and chemical properties of Vanillin-13C6 (CAS: 201595-58-6)?

Vanillin-13C6 is a stable crystalline compound with a molecular weight of 168.15 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is less soluble in water. It is moderately reactive, showing good stability under normal conditions but may react with strong bases or acids. It is often used in analytical chemistry for isotopic labeling.

How is Vanillin-13C6 (CAS: 201595-58-6) typically synthesized?

Vanillin-13C6 is synthesized via the deuteration of vanillin using 13C-labeled ethanol as a reagent. This process involves the deuteration of the hydroxyl groups of vanillin, leading to a high yield and good selectivity. The reaction is catalyzed by a Lewis acid such as aluminum chloride.

What industries use Vanillin-13C6 (CAS: 201595-58-6)?

Vanillin-13C6 is primarily used in the pharmaceutical industry for isotopic labeling studies and in the food industry as a flavoring agent. It is also used in polymer research for studying polymer degradation and in analytical chemistry for compound identification.

What precautions should be taken when handling Vanillin-13C6 (CAS: 201595-58-6)?

When handling Vanillin-13C6, wear appropriate personal protective equipment (PPE) including gloves and eye protection. Store it in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up immediately using appropriate materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and safety information.