CAS 344298-81-3

Butanoic-2,2,3,4,4,4-d6acid, 3-(methyl-d3)- (9CI)

Description:

Butanoic-2,2,3,4,4,4-d6 acid, 3-(methyl-d3)-, also known by its CAS number 344298-81-3, is a deuterated derivative of butanoic acid, which is a four-carbon straight-chain carboxylic acid. The presence of deuterium (d) in its structure indicates that certain hydrogen atoms have been replaced with deuterium isotopes, enhancing its utility in various analytical techniques, particularly in nuclear magnetic resonance (NMR) spectroscopy. This compound features a carboxylic acid functional group, which imparts acidic properties, and the methyl-d3 group suggests the presence of a methyl substituent that is also deuterated. The deuteration can influence the physical and chemical properties, such as solubility and reactivity, compared to its non-deuterated counterparts. Butanoic acid derivatives are often used in organic synthesis, as well as in the study of metabolic pathways and mechanisms in biochemistry. The specific isotopic labeling allows for more precise tracking of molecular behavior in experimental settings.

Formula: C₅HD₉O₂

InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D

InChI key: GWYFCOCPABKNJV-CBZKUFJVSA-N

SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)O

Synonyms:

• 3-Methylbutyric-D9 Acid

Isovaleric acid-D9

CAS: 344298-81-3

Isovaleric acid-D9

Formula: C₅HD₉O₂

Purity: 98%

Molecular weight: 111.19

Ref: 54-DE2080

3-Methylbutyric-d9 Acid

CAS: 344298-81-3, 503-74-2

Formula: (CD₃)₂CDCD₂COOH

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 111.12457

Ref: 3U-D2454

Isovaleric acid-D9

CAS: 344298-81-3

Isovaleric acid-D9 is a deuterated compound of Isovaleric acid. Isovaleric acid (T5609) has a CAS number of 503-74-2. 3-Methylbutanoic acid is a naturally occurring aroma compound found in Bartlett pear brandies, vanilla beans, rape-honey, and banana.

Formula: C₅H₁₀O₂

Molecular weight: 111.1872

Ref: TM-TMIJ-0048

Isovaleric Acid-d9

Controlled Product

CAS: 344298-81-3

Applications Isovaleric Acid-d9 is the labeled analogue of Isovaleric acid (I917570), a naturally occurring aroma compound found in Bartlett pear brandies, vanilla beans, rape-honey and banana.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Blasioli S., et al.: J. Agr. Food Chem., 62, 337 (2014); Willner, B. et al.: J. Agr. Food. Chem., 61, 9583 (2013); Zhang, S. & Mueller, C.:J. Agr. Food. Chem., 60, 10433 (2012); Pino, J, & Febles, Y.: Food Chem., 141, 795 (2013)

Formula: C₅D₉HO₂

Color and Shape: Neat

Molecular weight: 111.19

Ref: TR-I917572

3-Methylbutyric-d9 Acid

CAS: 344298-81-3

Formula: C₅H₁₀O₂

Molecular weight: 111.19

Ref: BE-MD-6440