PENTYL HEXANOATE
Synonym(s):n-Pentyl hexanoate;Amyl caproate;Hexanoic acid pentyl ester;Pentyl caproate
- CAS NO.:540-07-8
- Empirical Formula: C11H22O2
- Molecular Weight: 186.29
- MDL number: MFCD00027281
- EINECS: 208-732-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-04 15:04:49
What is PENTYL HEXANOATE?
Chemical properties
Amyl hexanoate has a charcteristic fruit-like (banana, pineapple) aroma.
Occurrence
Reported in fresh apple, apple juice, apricot (Prunus armeniaca L.), Vitis labrusca L., other Vitis species, strawberry fruit, blue cheese, beer, rum, cider, white wine, soybean, yellow passion fruit juice, fresh plum, other varieties of mushroom, Chinese quince peel and other natural sources.
The Uses of PENTYL HEXANOATE
Pentyl hexanoate is probably not used in perfumes. Finds use in flavor compositions for imitation Apple, Chocolate, Citrus, Grape, Honey, Liqueur-types, Pineapple, etc. Concentration usually up to 50 ppm in the finished product. In chewing gum as high as 110 ppm.
Preparation
By esterification of hexanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.
Definition
ChEBI: Valeryl hexanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 20 ppm: green, waxy, sweet and fruity with cognac-like notes.
Synthesis Reference(s)
The Journal of Organic Chemistry, 35, p. 3167, 1970 DOI: 10.1021/jo00834a075
Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Properties of PENTYL HEXANOATE
Melting point: | -47°C |
Boiling point: | 226 °C(lit.) |
Density | 0.858 g/mL at 25 °C(lit.) |
refractive index | n |
FEMA | 2074 | AMYL HEXANOATE |
Flash point: | 195 °F |
solubility | Insoluble in water, soluble in alcohol, essential oils, perfume and flavor materials. |
form | neat |
color | Colorless to Almost colorless |
Odor | Pungent-fruity, yet refreshing odor, Pineapple-like taste, sweet-sharp fruity, powerful, somewhat green-fruity undertone. |
JECFA Number | 163 |
Merck | 14,605 |
CAS DataBase Reference | 540-07-8(CAS DataBase Reference) |
EPA Substance Registry System | Hexanoic acid, pentyl ester (540-07-8) |
Safety information for PENTYL HEXANOATE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for PENTYL HEXANOATE
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