Allyl hexanoate CAS#123‑68‑2
Allyl hexanoate is a transparent liquid exhibiting a colour spectrum from colourless to faint pale yellow. It delivers appealing sweet‑fruity sensory traits, featuring rich, well‑rounded pineapple‑like taste and authentic tropical fruit‑style aroma. As a naturally‑occurring ester compound, it is confirmed to be one of the key intrinsic flavour constituents isolated from fresh pineapples, contributing greatly to the fruit’s characteristic tropical scent. It possesses a strong, recognizable pineapple‑typical odour, which makes it a core building block for constructing pineapple‑themed flavour systems. This raw material is widely deployed in formulating food essences, beverage aromas, confectionery flavours and assorted daily‑use fragrance products. Under normal manufacturing, handling and storage environments, it maintains satisfactory olfactory stability and dependable batch‑to‑batch consistency. Thanks to its true‑to‑nature fruity notes and stable performance, it ranks as a highly sought‑after flavour intermediate, well‑suited for large‑volume industrial procurement by global flavour and fragrance manufacturers.
Allyl hexanoate Chemical Properties |
Melting point | -57.45°C (estimate) |
Boiling point | 75-76 °C/15 mmHg (lit.) |
density | 0.887 g/mL at 25 °C (lit.) |
vapor pressure | 2.69hPa at 25℃ |
refractive index | n20/D 1.424(lit.) |
FEMA | 2032 | ALLYL HEXANOATE |
Fp | 151 °F |
storage temp. | Sealed in dry,Room Temperature |
solubility | 0.06g/l |
form | liquid |
color | Colorless to Almost colorless |
Odor | at 10.00 % in dipropylene glycol. sweet fruity pineapple tropical ethereal rum arrack fatty cognac |
Odor Type | fruity |
biological source | synthetic |
Water Solubility | PRACTICALLY INSOLUBLE |
JECFA Number | 3 |
Major Application | |
Cosmetics Ingredients Functions | FRAGRANCE |
InChI | 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
InChIKey | RCSBILYQLVXLJG-UHFFFAOYSA-N |
SMILES | CCCCCC(=O)OCC=C |
LogP | 3.191 at 20℃ |
CAS DataBase Reference | 123-68-2(CAS DataBase Reference) |
NIST Chemistry Reference | Hexanoic acid, 2-propenyl ester(123-68-2) |
EPA Substance Registry System | Allyl hexanoate (123-68-2) |
Safety Information |
Hazard Codes | T,N |
Risk Statements | 22-24-51/53-R51/53-R24-R22 |
Safety Statements | 36/37-45-61-S61-S45-S36/37 |
RIDADR | UN 2810 6.1/PG 3 |
WGK Germany | 2 |
RTECS | MO6125000 |
TSCA | TSCA listed |
HazardClass | 6.1(b) |
PackingGroup | III |
HS Code | 29159080 |
Storage Class | 6.1C - Combustible acute toxic Cat.3 |
Hazard Classifications | Acute Tox. 3 Dermal |
toxicity | The acute oral LD50 in rats was 218 mg/kg and in guinea-pigs 280 mg/kg . The acute dermal LD50 for sample no. 71-20 was reported as 0-3ml/kg in the rabbit |
Product Application of Allyl hexanoate CAS#123‑68‑2
Allyl hexanoate, also known as allyl caproate, is a liquid flavouring ingredient distinguished by its intense pineapple‑scented note and pale‑yellow appearance. Regarding solubility properties, it shows virtually no solubility in propylene glycol, while it is fully miscible with ethyl alcohol, the majority of fixed oils as well as mineral oil. This flavour substance is produced via chemical synthetic routes. It supports flexible formulation options, which means it can be applied either as a standalone flavour component or blended together with other flavour raw materials and functional auxiliary agents to achieve targeted aroma effects for diverse end‑use scenarios.
Factory Strength & Production Facilities
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Lead Time
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‑ Fresh production batches: 7‑10 working days are required for manufacturing and relevant preparation before delivery
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