Citronellyl isovalerate
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Citronellyl isovalerate
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CAS No:
68922-10-1
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Formula:
C15H28O2
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Chemical Name:
Citronellyl isovalerate
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Synonyms:
Butanoic acid,3-methyl-,3,7-dimethyl-6-octen-1-yl ester;Butanoic acid,3-methyl-,3,7-dimethyl-6-octenyl ester;Isovaleric acid,3,7-dimethyl-6-octenyl ester;Citronellyl isovalerate;93919-92-7
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CAS No:
Description
Citronellyl Isovalerate has a heavy, rosy, herbal odor and is used in oriental perfume compositions among others.
Citronellyl isovalerate is a carboxylic ester.
Characteristics
26.3
4.34830
0.8818-0.8839 g/cm3 @ Temp: 15 °C
145-150 °C @ Press: 14 Torr
91.2ºC
1.446
Safety Information
P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, P501
H315
Not Classified
Citronellyl isovalerate Use and Manufacturing
Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:240.38
XLogP3:5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:240.208930132
Monoisotopic Mass:240.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:237
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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