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1117-55-1

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Basic Information
CAS No.: 1117-55-1
Name: FEMA 2575
Article Data: 10
Molecular Structure:
Molecular Structure of 1117-55-1 (FEMA 2575)
Formula: C14H28 O2
Molecular Weight: 228.375
Synonyms: Hexylcaprylate; Hexyl octanoate; n-Hexyl caprylate
Density: 0.867g/cm3
Melting Point: -30.6°C
Boiling Point: 274.7°Cat760mmHg
Flash Point: 120°C
Safety: Mildly toxic by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 4.47040
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Chemistry

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.

Uses

 Hexyl octanoate (CAS NO.1117-55-1) is used as food spice.

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 .

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.

 

Consensus Reports

Reported in EPA TSCA Inventory.

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