3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate
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3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate
structure -
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CAS No:
138-23-8
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Formula:
C14H26O2
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Chemical Name:
3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate
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Synonyms:
Propanoic acid,2-methyl-,3,7-dimethyl-7-octen-1-yl ester;Isobutyric acid,3,7-dimethyl-7-octenyl ester;Propanoic acid,2-methyl-,3,7-dimethyl-7-octenyl ester;3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate;2,6-Dimethyl-1-octen-8-yl isobutyrate;Rhodinyl isobutyrate
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CAS No:
Description
colourless to pale yellow oily liquid with a fruity, floral odour
Rhodinyl isobutyrate is a carboxylic ester.
3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate Basic Attributes
226.35500
226.35
205-318-5
DTXSID60238322
Characteristics
26.30000
3.95820
colourless to pale yellow oily liquid with a fruity, floral odour
0.874g/cm3
287.9ºC at 760mmHg
88.4ºC
n20/D 1.442(lit.)
soluble in alcohol; insoluble in water
0.00241mmHg at 25°C
3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate Use and Manufacturing
Propanoic acid, 2-methyl-, 3,7-dimethyl-7-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
XLogP3:5.1
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:219
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate
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