Citronellyl isobutyrate
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Citronellyl isobutyrate
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CAS No:
97-89-2
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Formula:
C14H26O2
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Chemical Name:
Citronellyl isobutyrate
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Synonyms:
Propanoic acid,2-methyl-,3,7-dimethyl-6-octen-1-yl ester;Isobutyric acid,3,7-dimethyl-6-octenyl ester;Propanoic acid,2-methyl-,3,7-dimethyl-6-octenyl ester;Isobutyric acid,ester with citronellol;Citronellyl isobutyrate;2,6-Dimethyl-2-octen-8-yl isobutyrate;NSC 46148;3,7-Dimethyloct-6-en-1-yl isobutyrate;76444-25-2
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CAS No:
Description
Citronellyl Isobutyrate is a liquid with a sweet, fruity note and is used in perfumery for fruity, floral nuances. Citronellyl isobutyrate has a sweet, fruity and rose-like odor with a slightly sweet, apricot-like taste.
colourless liquid/rosy-fruity odour
Citronellyl isobutyrate is a carboxylic ester.
Characteristics
26.30000
3.95820
colourless liquid/rosy-fruity odour
0.875 g/mL at 25ºC(lit.)
-22.4°C (estimate)
175-180 °C @ Press: 15 Torr
>230 °F
n20/D 1.442(lit.)
miscible with alcohol, chloroform, ether, most fixed oils; insoluble in water
Citronellyl isobutyrate Use and Manufacturing
It is derived from azeotropic esterification of citronellol and isobutyric acid in the presence of isobutyric anhydride.
spices. It is mainly used to prepare fruit flavors such as raspberries and grapes.
Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:226.35
XLogP3:4.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:226.193280068
Monoisotopic Mass:226.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:225
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(-)-Bornyl isobutyrate Formula
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Isobornyl isobutyrate Formula
85586-67-0
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Propyl isobutyrate Structure
644-49-5
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Neryl isobutyrate Structure
2345-24-6
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What is Heptyl isobutyrate
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