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| Name |
Hexyl octanoate |
EINECS | N/A |
| CAS No. | 1117-55-1 | Density | 0.867g/cm3 |
| PSA | 26.30000 | LogP | 4.47040 |
| Solubility | N/A | Melting Point |
-30.6°C |
| Formula | C14H28 O2 | Boiling Point | 274.7°Cat760mmHg |
| Molecular Weight | 228.375 | Flash Point | 120°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mildly toxic by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Hexylcaprylate; Hexyl octanoate; n-Hexyl caprylate |
Article Data | 10 |
Hexyl octanoate Chemical Properties
IUPAC Name: Hexyl octanoate
Synonyms of Hexyl octanoate (CAS NO.1117-55-1) : Hexyl octanoate ; Octanoic acid, hexyl ester ; Hexyl caprylate ; Hexyl octanoate (natural) ; Hexyl octylate ; n-Hexyl caprylate ; Octanoic acid hexyl ester
Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
CAS NO:1117-55-1
Molecular Formula:C14H28O2
Molecular Weight :228.3709
Molecular Structure :
EINECS: 214-247-9
Index of Refraction: 1.435
Surface Tension: 29.6 dyne/cm
Density: 0.867 g/cm3
Flash Point: 120°C
Enthalpy of Vaporization: 51.31 kJ/mol
Boiling Point: 274.7 °C at 760 mmHg
Vapour Pressure: 0.00532 mmHg at 25°C
Melting point: -31°C
Appearance: Hexyl octanoate (CAS NO.1117-55-1) is colorless liquid.
Solubility:Soluble in ethanol, insoluble in water.
Hexyl octanoate Uses
Hexyl octanoate (CAS NO.1117-55-1) is used as food spice.
Hexyl octanoate Production
Raw materials: Octanoic acid-->Hexyl alcohol
Natural product was found in fresh apples, apple juice, apricots, bananas, melon, strawberry juice, beer, malt whiskey, cider, wine, apple brandy .
Hexyl octanoate (CAS NO.1117-55-1) is derived from direct esterification of N-Hexyl alcohol and Caprylic acid .
Hexyl octanoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 713, 1982. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 713, 1982. |
Hexyl octanoate Consensus Reports
Reported in EPA TSCA Inventory.
Hexyl octanoate Safety Profile
Mildly toxic by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
WGK Germany 2
RTECS RH0763500
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