CAS 14007-02-4

butyl mandelate

Description:

Butyl mandelate, with the CAS number 14007-02-4, is an ester derived from mandelic acid and butanol. It typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. This compound is known for its solubility in organic solvents, while being less soluble in water, which is characteristic of many esters. Butyl mandelate is often utilized in the fragrance and flavor industry due to its aromatic properties. Additionally, it may serve as a solvent or an intermediate in organic synthesis. The compound exhibits moderate volatility and can be sensitive to heat and light, necessitating proper storage conditions to maintain its stability. Its chemical structure features a butyl group attached to the mandelate moiety, influencing its reactivity and interactions with other substances. Safety data indicates that, while it may pose some health risks upon exposure, proper handling and usage guidelines can mitigate these concerns. Overall, butyl mandelate is valued for its sensory attributes and functional applications in various industrial sectors.

Formula: C₁₂H₁₆O₃

InChI: InChI=1/C12H16O3/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3

InChI key: InChIKey=QLVXFMSPNHAPMO-UHFFFAOYSA-N

SMILES: C(C(OCCCC)=O)(O)C1=CC=CC=C1

Synonyms:

• (±)-n-Butyl mandelate
• Ai 3-1789
• Ai3-01789
• Benzeneacetic acid, alpha-hydroxy-, butyl ester
• Benzeneacetic acid, α-hydroxy-, butyl ester
• Butyl 2-hydroxy-2-phenylacetate
• Butyl Hydroxy(Phenyl)Acetate
• Mandelic acid, butyl ester
• NSC 406147
• Butyl mandelate
• α-Hydroxybenzeneacetic acid butyl ester
• QLVXFMSPNHAPMO-UHFFFAOYSA-N

Benzeneacetic acid, α-hydroxy-, butyl ester

CAS: 14007-02-4

Formula: C₁₂H₁₆O₃

Color and Shape: Liquid

Molecular weight: 208.2536

Ref: IN-DA001BZF

Butyl Mandelate

CAS: 14007-02-4

Formula: C₁₂H₁₆O₃

Color and Shape: Colorless Liquid

Molecular weight: 208.26

Ref: 4Z-S-0335

n-Butyl Mandelate

Controlled Product

CAS: 14007-02-4

Applications n-Butyl Mandelate is a compound used in the exploitation of cofactor versatility to convert a FAD-dependent Baeyer-Villager monooxygenase into a keto ketoreductase.
References Xu, J. et al.: Angew. Chem. Int. Ed., 58, 14499 (2019);

Formula: C₁₂H₁₆O₃

Color and Shape: Neat

Molecular weight: 208.254

Ref: TR-B845365

Butyl Mandelate

CAS: 14007-02-4

Formula: C₁₂H₁₆O₃

Molecular weight: 208.26

Ref: ST-EA-CP-S6061