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Product Name: |
Allyl hexanoate |
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Synonyms: |
Propylene caproate;2-Propenyl n-hexanoate;2-PROPENYL HEXANOATE;ALLYL CAPROATE;ALLYL HEXANOATE;ALLYL N-HEXANOATE;CAPROIC ACID ALLYL ESTER;FEMA 2032 |
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CAS: |
123-68-2 |
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MF: |
C9H16O2 |
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MW: |
156.22 |
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EINECS: |
204-642-4 |
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Product Categories: |
lactone flavors |
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Mol File: |
123-68-2.mol |
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Melting point |
-57.45°C (estimate) |
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Boiling point |
75-76 °C15 mm Hg(lit.) |
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density |
0.887 g/mL at 25 °C(lit.) |
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FEMA |
2032 | ALLYL HEXANOATE |
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refractive index |
n20/D 1.424(lit.) |
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Fp |
151 °F |
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storage temp. |
Store below +30°C. |
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solubility |
0.06g/l |
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form |
neat |
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Water Solubility |
PRACTICALLY INSOLUBLE |
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JECFA Number |
3 |
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CAS DataBase Reference |
123-68-2(CAS DataBase Reference) |
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NIST Chemistry Reference |
Hexanoic acid, 2-propenyl ester(123-68-2) |
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EPA Substance Registry System |
Allyl hexanoate (123-68-2) |
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Hazard Codes |
T,N |
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Risk Statements |
22-24-51/53-R51/53-R24-R22 |
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Safety Statements |
36/37-45-61-S61-S45-S36/37 |
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RIDADR |
UN 2810 6.1/PG 3 |
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WGK Germany |
2 |
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RTECS |
MO6125000 |
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HazardClass |
6.1(b) |
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PackingGroup |
III |
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HS Code |
29159080 |
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Chemical Properties |
Colorless to pale yellow liquid; pineapple aroma; Soluble in organic solvents; insoluble in water. |
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Content Analysis |
Accurately weigh 1g of samples and analyze its content according to ester determination (OT-18). The equivalent factor (e) in the calculation is taken as 78.12. |
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Toxicity |
LD50 218 mg/kg (rat,
oral). |
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Use limits |
FEMA (mg/kg): soft drinks 7.0; cold drinks 11.0; candy 32; baked food 25; pudding class 22; |
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Chemical Properties |
CLEAR COLOURLESS LIQUID |
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Chemical Properties |
2-Propenyl Hexanoate has been shown to occur in pineapple. It has a typical pineapple odor and is used in, for example, pineapple flavors. |
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Chemical Properties |
A colorless liquid with fruity sweet, pineapple-like taste and fruit-like aroma (pineapple) |
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Uses |
Allyl Hexanoate is a liquid flavoring agent with a strong pineapple odor and pale yellow color. it is practically insoluble in propylene glycol and miscible with alcohol, most fixed oils, and mineral oil. it is obtained by chemical synthesis. it can be used alone or in com- bination with other flavoring substances or adjuvants. it is also termed allyl caproate. |
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Preparation |
By esterification of n-caproic acid with allyl alcohol in the presence of concentrated H2SO4 or of naphthalene-β-sulfonic acid in benzene under a nitrogen blanket |
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Taste threshold values |
Taste characteristics at 10 ppm: sweet, fresh, juicy, pineapple and fruity |
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Safety Profile |
Poison by ingestion and skin contact. Mutation data reported. An irritant to human skin. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS and ESTERS |
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Raw materials |
Sodium carbonate-->Calcium chloride-->Cuprous chloride-->Hydroquinone-->Allyl alcohol-->Hexanoic acid-->Heptanoic acid-->Fatty acid (C10～C20) |
