Isobutyl salicylate
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Isobutyl salicylate
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CAS No:
87-19-4
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Formula:
C11H14O3
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Chemical Name:
Isobutyl salicylate
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Synonyms:
Benzoic acid,2-hydroxy-,2-methylpropyl ester;Salicylic acid,isobutyl ester;Isobutyl o-hydroxybenzoate;Isobutyl salicylate;2-Isobutoxycarbonylphenol;NSC 62140;Isobutyl 2-hydroxybenzoate;2-Methylpropyl 2-hydroxybenzoate
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CAS No:
Description
Isobutyl salicylate has a somewhat harsh, floral, herbaceous odor similar to amyl salicylate and a bitter taste. Colorless liquid; may have slightly yellowish tinge.Soluble in alcohol and mineral oil, insoluble in water and glycerol. Combustible.
Liquid|colourless to pale yellow liquid with a somewhat harsh, floral, herbaceous odour
Isobutyl salicylate is a member of phenols and a benzoate ester. It derives from a salicylic acid.
Isobutyl salicylate Basic Attributes
194.23
194.23
201-729-9
S122C080GX
62140
DTXSID3047186
2918230000
Characteristics
46.53000
3.64
Liquid
1.1±0.1 g/cm3
5.9 °C
261 °C
230 °F
1.524
insoluble in water, glycerol; soluble in organic solvents, oils
Keep tightly closed.
Safety Information
NONH for all modes of transport
3
22
36
VO4320000
Xn
Stable at normal temperatures and pressures.
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1688 companies from 4 notifications to the ECHA C&L Inventory.
Isobutyl salicylate Use and Manufacturing
It is formed by esterification of isobutanol and salicylic acid.
Used in daily flavors, food flavors
Benzoic acid, 2-hydroxy-, 2-methylpropyl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:194.23
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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