1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate
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1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate
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CAS No:
7774-65-4
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Formula:
C14H24O2
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Chemical Name:
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate
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Synonyms:
Propanoic acid,2-methyl-,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate;α-Terpinyl isobutyrate;2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate;1334-93-6
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CAS No:
Description
Terpinyl isobutyrate has a fruity, floral, herbaceous odor with a heavy, fruity-type flavor
clear, colourless liquid
Terpinyl isobutyrate is a p-menthane monoterpenoid.
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate Basic Attributes
224.33900
224.34
231-878-5
Characteristics
26.30000
3.71060
clear, colourless liquid
0.943 g/mL at 25ºC(lit.)
132ºC
272.5ºC at 760 mmHg
85.6ºC
n20/D 1.461(lit.)
insoluble in water; soluble in alcohols and oils
Safety Information
NONH for all modes of transport
2
UA2470450
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1399 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate Use and Manufacturing
Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:224.34
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:224.177630004
Monoisotopic Mass:224.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:287
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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