CAS 1199-20-8

β-Methylcinnamic acid

Description:

β-Methylcinnamic acid, with the CAS number 1199-20-8, is an organic compound characterized by its aromatic structure and the presence of both a carboxylic acid and an alkene functional group. It is a derivative of cinnamic acid, featuring a methyl group at the beta position relative to the carboxylic acid. This compound typically appears as a white to pale yellow crystalline solid and is known for its pleasant, sweet odor, making it of interest in the fragrance and flavor industries. β-Methylcinnamic acid is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Its melting point and boiling point can vary based on purity and specific conditions. The compound exhibits typical reactivity of carboxylic acids, including the ability to undergo esterification and other reactions involving the carboxyl group. Additionally, it may participate in various organic synthesis reactions, making it a valuable intermediate in the production of more complex molecules.

Formula: C₁₀H₁₀O₂

InChI: InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

InChI key: InChIKey=PEXWJYDPDXUVSV-UHFFFAOYSA-N

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

Synonyms:

• (2E)-3-(3-methylphenyl)prop-2-enoic acid
• (2E)-3-phenylbut-2-enoic acid
• (2Z)-3-phenylbut-2-enoic acid
• 2-Butenoic acid, 3-phenyl-
• 3-Phenyl-2-butenoic acid
• 3-Phenylcrotonic acid
• B-Methylcinnamic Acid
• Cinnamic acid, β-methyl-
• NSC 16625
• beta-Methylcinnamicacid

3-phenylbut-2-enoic acid (E/Z mixture)

CAS: 1199-20-8

Formula: C₁₀H₁₀O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 162.1852

Ref: IN-DA000PU2

3-Phenylbut-2-enoic acid

CAS: 1199-20-8

3-Phenylbut-2-enoic acid

Formula: C₁₀H₁₀O₂

Purity: 95%

Color and Shape: white to off-white solid

Molecular weight: 162.19g/mol

Ref: 54-OR29067

3-PHENYLBUT-2-ENOIC ACID

CAS: 1199-20-8

Purity: 98%

Molecular weight: 162.1880035

Ref: 10-F847781

3-Phenylbut-2-enoic acid

CAS: 1199-20-8

3-Phenylbut-2-enoic acid is a prochiral, carbonyl compound that can be used in the synthesis of chiral pharmaceuticals. Mechanistic studies have shown that 3-phenylbut-2-enoic acid is a catalytic hydrogenation reagent that converts prochiral substrates to their corresponding chiral products. When combined with binap and butenoic acid, 3-phenylbut-2-enoic acid can catalyze the asymmetric synthesis of butenoate. The reaction yields high enantiomeric excesses and good yields.

Formula: C₁₀H₁₀O₂

Purity: Min. 95%

Molecular weight: 162.19 g/mol

Ref: 3D-BAA19920