CAS 6623-98-9

methyl 2-(propan-2-yl)benzoate

Description:

Methyl 2-(propan-2-yl)benzoate, also known as isobutyl methyl benzoate, is an organic compound characterized by its ester functional group. It is derived from benzoic acid and isobutanol, resulting in a structure that features a benzoate moiety with a branched alkyl chain. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor, making it useful in flavoring and fragrance applications. It is moderately soluble in organic solvents but has limited solubility in water due to its hydrophobic characteristics. Methyl 2-(propan-2-yl)benzoate exhibits stability under normal conditions but may undergo hydrolysis in the presence of strong acids or bases. Its chemical properties include a relatively low boiling point and a moderate vapor pressure, indicating volatility. As with many esters, it can participate in various chemical reactions, including transesterification and esterification. Safety data should be consulted for handling, as it may cause irritation upon contact with skin or eyes.

Formula: C₁₁H₁₄O₂

InChI: InChI=1/C11H14O2/c1-8(2)9-6-4-5-7-10(9)11(12)13-3/h4-8H,1-3H3

SMILES: CC(C)c1ccccc1C(=O)OC

Benzoic acid, 2-(1-methylethyl)-, methyl ester

CAS: 6623-98-9

Formula: C₁₁H₁₄O₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 178.2277

Ref: IN-DA00IBKT

Methyl 2-Isopropylbenzoate

CAS: 6623-98-9

Methyl 2-Isopropylbenzoate

Purity: ≥95%

Color and Shape: Liquid

Molecular weight: 178.23g/mol

Ref: 54-OR470473

Methyl 2-Isopropylbenzoate

CAS: 6623-98-9

Purity: ≥95%

Molecular weight: 178.2310028

Ref: 10-F692744

Methyl 2-Isopropylbenzoate

CAS: 6623-98-9

Methyl 2-isopropylbenzoate (MIB) is a monocyclic aldehyde that has been shown to be damaging to membranes. It can induce lipid peroxidation and cellular damage in the lung, which can lead to pulmonary fibrosis. MIB is also toxic to human lung fibroblast cells by increasing the production of reactive oxygen species and causing membrane damage. The damaging effects of MIB are thought to be due to its ability as an aliphatic alcohol and amines, which may cause membrane disruption.

Formula: C₁₁H₁₄O₂

Purity: Min. 95%

Molecular weight: 178.23 g/mol

Ref: 3D-GAA62398