Citronellyl butyrate
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Citronellyl butyrate
structure -
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CAS No:
141-16-2
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Formula:
C14H26O2
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Chemical Name:
Citronellyl butyrate
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Synonyms:
Butanoic acid,3,7-dimethyl-6-octen-1-yl ester;Butyric acid,3,7-dimethyl-6-octenyl ester;Butanoic acid,3,7-dimethyl-6-octenyl ester;Butyric acid,ester with citronellol;6-Octen-1-ol,3,7-dimethyl-,butyrate;Citronellyl butyrate;2,6-Dimethyl-2-octen-8-ol ester with butyric acid;2,6-Dimethyl-2-octen-8-yl butyrate;Citronellyl n-butyrate;Citronellyl butanoate;3,7-Dimethyl-6-octenyl butanoate;Citronellol butyrate;NSC 46147;134982-45-9;76444-24-1
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CAS No:
Characteristics
26.30000
4.10230
colourless liquid/strong, fruity-rosy odour
0.8898-0.8928 g/cm3 @ Temp: 15 °C
135-139 °C @ Press: 13 Torr
>230 °F
n20/D 1.445(lit.)
miscible with alcohol, ether, most fixed oils, chloroform; insoluble in water
0.00161mmHg at 25°C
Safety Information
NONH for all modes of transport
2
36/37/38
26-36
RH3430000
Xi
P261-P305 + P351 + P338
H315-H319-H335
Not Classified
Citronellyl butyrate Use and Manufacturing
It is obtained by vacuum fractionation of citronella oil.
GB 2760-96 allows the use of edible spices. Mainly used to prepare apple, honey, banana, plum and cola flavors.
Butanoic acid, 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
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:226.193280068
Monoisotopic Mass:226.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:215
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Citronellyl butyrate
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2 YRS
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