Isoamyl benzoate
- CAS NO.：94-46-2
- Empirical Formula: C12H16O2
- Molecular Weight: 192.25
- MDL number: MFCD00026515
- EINECS: 202-334-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is Isoamyl benzoate?
Description
Isoamyl benzoate has a fruity, slightly pungent odor. May be prepared by transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzoyl chloride and isoamyl acetate.
Chemical properties
Colorless liquid; fruity odor. Insoluble in water; soluble in alcohol. Combustible.
Chemical properties
Isoamyl benzoate has a mild, sweet, fruit-like odor
Occurrence
Reported found in vinegar, cocoa, sweet cherry, papaya, beer, quince, litchi, cherimoya, sea buckthorn (Hippophae rhamnoides L.) and jackfruit (Artocarpus heterophyllus Larn.)
The Uses of Isoamyl benzoate
In perfumery and cosmetics.
Preparation
By transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzyl chloride and isoamyl acetate.
Definition
ChEBI: 3-Methylbutyl benzoate is a benzoate ester.
Taste threshold values
Taste characteristics at 25 ppm: sweet, fruity with a green tropical nuance.
Metabolism
Benzoic acid is metabolized in the mammalian body after conjugation with glycine to form hippuric acid and benzoylglucuronic acid, which are excreted in the urine(Williams, 1959).
Properties of Isoamyl benzoate
| Boiling point: | 261-262 °C (lit.) |
| Density | 0.99 g/mL at 25 °C (lit.) |
| vapor pressure | 1hPa at 66℃ |
| FEMA | 2058 | ISOAMYL BENZOATE |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Store below +30°C. |
| Water Solubility | Insoluble in water |
| form | clear liquid |
| color | Colorless |
| Odor | at 100.00 %. sweet balsamic green waxy |
| JECFA Number | 857 |
| Merck | 14,5113 |
| Dielectric constant | 5.1（20℃） |
| CAS DataBase Reference | 94-46-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Butanol, 3-methyl-, benzoate(94-46-2) |
| EPA Substance Registry System | 1-Butanol, 3-methyl-, benzoate (94-46-2) |
Safety information for Isoamyl benzoate
Computed Descriptors for Isoamyl benzoate
New Products
3-Iodophenylacetic acid 3-Pyridineacetonitrile, α-hydroxy- 2-Propanamine, 1-chloro-, hydrochloride (9CI) 3-(hexyloxy)-4-(pyridin-3-yl)-1,2,5-thiadiazole 2-Hexyn-1-ol Dibenzo-18-crown-6 Nickel(II) perchlorate hexahydrate, 98% 4-Bromophenylacetonitrile, 95% 3-Bromo-4-fluoroaniline, 97% Sodium tetraborate decahydrate, 98% Palladium(II) acetate, trimer, Pd 99% 4-Bromo-2-chlorotoluene, 97% N N Dimethylformamide Dimethyl Acetal (Dmf Dma) 2,3-Dichloro Benzoyl Cyanide [Side Chain] Bis(2-Chloroethyl) Amine Hydrochloride L-Glutamic Acid Diethyl Ester Hydrochloride 5-(Difluoromethoxy)-2-Mercaptobenzimidazole 1-Ethyl-3-(3-Dimethylaminopropyl)-Carbodiimide Hydrochloride [EDC Hcl] 1,4-Napthoquinone Bromoiodomethane Sodium Bicarbonate Methylene Dichloride (MDC) Ethyl Acetate Indole-3-Carbinol (I3C)Related products of tetrahydrofuran
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