Pemetrexed Impurity 41
Benzoic acid, 4-(4-oxobutyl)-, methyl ester
CAS: 106200-41-3
Molecular Formula: C12H14O3
Pemetrexed Impurity 41 - Names and Identifiers
Pemetrexed Impurity 41 - Physico-chemical Properties
| Molecular Formula | C12H14O3 |
| Molar Mass | 206.24 |
| Density | 1.082±0.06 g/cm3(Predicted) |
| Melting Point | 76.5-78 °C(Solv: ethyl ether (60-29-7)) |
| Boling Point | 131 °C(Press: |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Appearance | Oil |
| Color | Clear Colourless |
| Storage Condition | Hygroscopic, Refrigerator, under inert atmosphere |
| Stability | Hygroscopic |
Pemetrexed Impurity 41 - Introduction
Methyl 4-(4-oxobutyl) benzoate is a compound whose English name is 4-(4-Methoxybutyl)benzoic acid ester. The following is a description of its nature, use, preparation and safety information:
Nature:
Methyl 4-(4-oxobutyl) benzoate is a colorless liquid with a sweet aroma. Its chemical formula is C12H16O3 and its relative molecular mass is 208.26. Its melting point is -15~-14 ℃, boiling point is 289~291 ℃. It is soluble in organic solvents such as alcohols, ethers and esters, and insoluble in water.
Use:
Methyl 4-(4-oxobutyl) benzoate is primarily used as a flavoring ingredient in foods and flavors. It can also be used as an additive in medicine and cosmetics, with fragrant and flavoring effects.
Preparation Method:
Methyl 4-(4-oxobutyl) benzoate can be prepared by a substitution reaction on toluene. The specific steps include: reacting toluene with bromobutane to generate 4-bromobutyltoluene, and then reacting with methyl formate to obtain methyl 4-(4-bromobutyl) benzoate. Finally, the ester exchange reaction was carried out under alkaline conditions, and 4-(4-bromobutyl) benzoic acid methyl ester was reacted with methanol to prepare 4-(4-oxobutyl) benzoic acid methyl ester.
Safety Information:
Methyl 4-(4-oxobutyl) benzoate is generally considered safe, but correct use and storage methods must be followed. It may cause irritation to the skin, eyes and respiratory tract, so wear appropriate protective measures and avoid contact with skin and eyes. When stored, it should be placed in a closed container, away from fire and oxidizing agents. If inhaled or ingested by mistake, seek medical attention immediately.
Nature:
Methyl 4-(4-oxobutyl) benzoate is a colorless liquid with a sweet aroma. Its chemical formula is C12H16O3 and its relative molecular mass is 208.26. Its melting point is -15~-14 ℃, boiling point is 289~291 ℃. It is soluble in organic solvents such as alcohols, ethers and esters, and insoluble in water.
Use:
Methyl 4-(4-oxobutyl) benzoate is primarily used as a flavoring ingredient in foods and flavors. It can also be used as an additive in medicine and cosmetics, with fragrant and flavoring effects.
Preparation Method:
Methyl 4-(4-oxobutyl) benzoate can be prepared by a substitution reaction on toluene. The specific steps include: reacting toluene with bromobutane to generate 4-bromobutyltoluene, and then reacting with methyl formate to obtain methyl 4-(4-bromobutyl) benzoate. Finally, the ester exchange reaction was carried out under alkaline conditions, and 4-(4-bromobutyl) benzoic acid methyl ester was reacted with methanol to prepare 4-(4-oxobutyl) benzoic acid methyl ester.
Safety Information:
Methyl 4-(4-oxobutyl) benzoate is generally considered safe, but correct use and storage methods must be followed. It may cause irritation to the skin, eyes and respiratory tract, so wear appropriate protective measures and avoid contact with skin and eyes. When stored, it should be placed in a closed container, away from fire and oxidizing agents. If inhaled or ingested by mistake, seek medical attention immediately.
Last Update：2024-04-09 20:49:11
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