Isobutyl cinnamate
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Isobutyl cinnamate
structure -
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CAS No:
122-67-8
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Formula:
C13H16O2
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Chemical Name:
Isobutyl cinnamate
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Synonyms:
2-Propenoic acid,3-phenyl-,2-methylpropyl ester;Cinnamic acid,isobutyl ester;Labdanol;Isobutyl cinnamate;NSC 404181
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CAS No:
Isobutyl cinnamate Basic Attributes
204.26
204.26
204-564-0
4NCI0MR7KP
404181
DTXSID2047646
2916399090
Characteristics
26.3
2.89900
Colourless liquid, sweet fruity balsamic odour
1.0170 g/cm3 @ Temp: 20 °C
154 °C @ Press: 12 Torr
237 °F
1.536
insoluble in water; soluble in oils
0.00141mmHg at 25°C
Isobutyl cinnamate Use and Manufacturing
It is obtained by heating cinnamoyl chloride and isobutanol together.
Often used as a mixture and modifier of rock rose products and amber-ambergris fragrances in fragrance formulations. It can also coordinate well with oak moss and tree moss products, patchouli oil, vetiver oil, coumarin, jasmon aldehyde, nitro musk, etc. It is also commonly used in the formulation of oriental fragrances. It can also be used in chocolate, cherry, cocoa, peach, strawberry, raspberry and other food flavors.
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:204.26
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:204.115029749
Monoisotopic Mass:204.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:213
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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