CAS 76-89-1

Methyl benzilate

Description:

Methyl benzilate, with the CAS number 76-89-1, is an organic compound classified as an ester. It is derived from the reaction of methyl alcohol and benzilic acid. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. Methyl benzilate is known for its low solubility in water but is soluble in organic solvents such as ethanol and ether. It has a relatively low boiling point and a moderate density compared to water. The compound is primarily used in the fragrance industry due to its aromatic properties, and it may also serve as an intermediate in organic synthesis. Methyl benzilate is generally considered to have low toxicity, but like many organic compounds, it should be handled with care to avoid inhalation or skin contact. Proper safety measures, including the use of personal protective equipment, are recommended when working with this substance in a laboratory or industrial setting.

Formula: C₁₅H₁₄O₃

InChI: InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3

InChI key: InChIKey=LJFIHTFNTGQZJL-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(O)(C1=CC=CC=C1)C2=CC=CC=C2

Synonyms:

• 2-Hydroxy-2,2-diphenylacetic acid methyl ester
• Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester
• Benzeneacetic acid, α-hydroxy-α-phenyl-, methyl ester
• Benzilic acid, methyl ester
• Benzilic acid, methyl ester (8CI)
• Methyl 2-hydroxy-2,2-diphenylacetate
• Methyl diphenylglycolate
• Methyl hydroxy(diphenyl)acetate
• Methyl hydroxydiphenylacetate
• Methyl α-hydroxydiphenylacetate
• Methyl α-phenylmandelate
• NSC 57672
• NSC 624

Methyl benzilate, 98%

CAS: 76-89-1

It is used as a pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as

Formula: C₁₅H₁₄O₃

Purity: 98%

Color and Shape: White, Crystals or powder or crystalline powder

Molecular weight: 242.27

Ref: 02-A15907

Methyl Benzilate

Controlled Product

CAS: 76-89-1

Applications Methyl Benzilate is a reactant in the synthesis of Trimethadione (T796155), an anticonvulsant and antiepileptic agent used in the treatment of pregnant women. Prenatal exposure to snti-epileptic drugs (AEDs) has indicated increased risk of major or minor congenital malformation.
References Pastore, V., et. al.: Bioorg. Med. Chem., 21, 841 (2013); Ahir, B. et al.: Toxicol. Vitro., 28, 948 (2014); Pastore, V. et al.: Bioorg. Med. Chem., 21, 841 (2013)

Formula: C₁₅H₁₄O₃

Color and Shape: Off White Powder

Molecular weight: 242.27

Ref: TR-M289750

Methyl benzilate

Controlled Product

CAS: 76-89-1

Methyl benzilate is a nicotinic acetylcholine receptor antagonist. It inhibits the binding of acetylcholine to its receptors, thereby preventing the transmission of nerve impulses in the body. Methyl benzilate has been used as a pharmaceutical preparation for the treatment of bladder disorders. The inhibitory effect of methyl benzilate on acetylcholine is reversible and competitive. Methyl benzilate also has an anticholinergic effect, which may be due to its ability to inhibit the enzyme catalysis that is required for the conversion of ethylene diamine into ethylene glycol.
Methyl benzilate also has an analytical chemistry use. This chemical can be used to measure chloride concentrations in blood samples by reacting with chloride ions and ethylene diamine to form a blue-colored complex that can be measured spectrophotometrically by measuring its absorbance at 540 nm.

Formula: C₁₅H₁₄O₃

Purity: Min. 95%

Molecular weight: 242.27 g/mol

Ref: 3D-FM70541

Clidinium Bromide Related Compound C (Methyl 2-hydroxy-2,2-diphenylacetate) (International Restricted Item)

CAS: 76-89-1

Carboxylic acids w/ alcohol function but w/o other oxygen function and their derivatives, nesoi

Formula: C₁₅H₁₄O₃

Color and Shape: Off-White Powder

Molecular weight: 242.09429

Ref: 45-1135023

methyl 2-hydroxy-2,2-diphenylacetate

CAS: 76-89-1

Formula: C₁₅H₁₄O₃

Color and Shape: Solid

Molecular weight: 242.2699

Ref: IN-DA00368D