| Identification | More | [Name]
PENTYL HEXANOATE | [CAS]
540-07-8 | [Synonyms]
AMYL CAPROATE
AMYL HEXANOATE
FEMA 2074
HEXANOIC ACID AMYL ESTER
HEXANOIC ACID PENTYL ESTER
N-AMYL CAPROATE
N-AMYL HEXANOATE
N-CAPROIC ACID N-AMYL ESTER
PENTYL HEXANOATE
Amyl capronate
Amyl hexoate
amylcapronate
n-Amyl n-hexanoate
n-Amyln-caproate
Pentyl caproate
Pentyl ester hexanoic acid
pentylcaproate
N-AMYL HEXANOATE 98+%
n-Pentyl caproate
n-Pentyl hexanoate | [EINECS(EC#)]
208-732-4 | [Molecular Formula]
C11H22O2 | [MDL Number]
MFCD00027281 | [Molecular Weight]
186.29 | [MOL File]
540-07-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
-47°C | [Boiling point ]
226 °C(lit.) | [density ]
0.858 g/mL at 25 °C(lit.)
| [FEMA ]
2074 | [refractive index ]
n20/D 1.42(lit.)
| [Fp ]
195 °F
| [solubility ]
Insoluble in water, soluble in alcohol, essential oils, perfume and flavor materials. | [form ]
neat | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. sweet green fruity estry pineapple apple pear fatty | [Odor Type]
fruity | [JECFA Number]
163 | [Merck ]
605 | [LogP]
4.43 | [CAS DataBase Reference]
540-07-8(CAS DataBase Reference) | [EPA Substance Registry System]
Hexanoic acid, pentyl ester (540-07-8) |
| Hazard Information | Back Directory | [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. | [Uses]
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.
| [Definition]
ChEBI: Valeryl hexanoate is a fatty acid ester. | [Preparation]
By esterification of hexanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.
| [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. |
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