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HomeProduct name listPENTYL HEXANOATE

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
PENTYL HEXANOATE Structural

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  n20/D 1.42(lit.)
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)
ghs
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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