3-Octyl acetate
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3-Octyl acetate
structure -
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CAS No:
4864-61-3
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Formula:
C10H20O2
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Chemical Name:
3-Octyl acetate
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Synonyms:
3-Octanol,3-acetate;3-Octanol,acetate;3-Octyl acetate;Oct-3-yl ethanoate;3-Acetoxyoctane;(±)-3-Octyl acetate;(±)-3-Acetoxyoctane;50373-56-3
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CAS No:
Description
3-Octyl acetate has a characteristic, complex aroma with a rose and jasmine note and an apple-lemon undertone with a sweet, peach-like flavor.
colourless liquid with a rosy-minty odour
3-Octyl acetate is a carboxylic ester.
Characteristics
26.30000
2.90840
colourless liquid with a rosy-minty odour
0.8646 g/cm3 @ Temp: 15 °C
-65.75°C (estimate)
90 °C @ Press: 10 Torr
157 °F
n20/D 1.415(lit.)
soluble in alcohol, propylene glycol, fixed oils; slightly soluble in water
Safety Information
2
36/38
26-36/37
Xi
P305 + P351 + P338
H315-H319
|Warning|H226 (96.84%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1449 companies from 4 notifications to the ECHA C&L Inventory.
3-Octyl acetate Use and Manufacturing
It is obtained by azeotroping a mixture of octanol, acetic acid and benzene with a small amount of sulfuric acid to remove the generated water at any time.
GB 2760-1996 stipulates the allowable spices. Mainly used to prepare bergamot, citrus, apple, pear, tallow, nut and other flavors.
3-Octanol, 3-acetate: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:172.26
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:121
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Octyl acetate
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