Isobutyl salicylate

Isobutyl salicylate Basic information
Product Name:Isobutyl salicylate
Synonyms:2-hydroxy-benzoicaci2-methylpropylester;2-Isobutoxycarbonylphenol;2-methylpropyl salicylate;FEMA 2213;ISOBUTYL SALICYLATE;ISOBUTYL O-HYDROXYBENZOATE;ISOBUTYL 2-HYDROXYBENZOATE;2-HYDROXYBENZOIC ACID ISOBUTYL ESTER
CAS:87-19-4
MF:C11H14O3
MW:194.23
EINECS:201-729-9
Product Categories:Alphabetical Listings;Flavors and Fragrances;I-L
Mol File:87-19-4.mol
Isobutyl salicylate Structure
Isobutyl salicylate Chemical Properties
Melting point 5.9°C
Boiling point 267 °C(lit.)
density 1.064 g/mL at 25 °C(lit.)
vapor pressure 5Pa at 20℃
FEMA 2213 | ISOBUTYL SALICYLATE
refractive index n20/D 1.509(lit.)
Fp 230 °F
form clear liquid
pka8.11±0.30(Predicted)
color Colorless to Almost colorless
Odorat 10.00 % in dipropylene glycol. clover herbal orchid floral
Odor Typefloral
Water Solubility 19.5mg/L at 20℃
JECFA Number902
LogP4.09 at 21.9℃
CAS DataBase Reference87-19-4(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 2-hydroxy-, 2-methylpropyl ester(87-19-4)
EPA Substance Registry SystemBenzoic acid, 2-hydroxy-, 2-methylpropyl ester (87-19-4)
Safety Information
Hazard Codes Xn
Risk Statements 22
Safety Statements 36
WGK Germany 3
RTECS VO4320000
HS Code 2918.23.5000
toxicityThe acute oral LD50 value in rats was reported as 1.56 g/kg (1.32-1.80 g/kg) and the acute dermal LD50 value in rabbits as > 5 g/kg
MSDS Information
ProviderLanguage
2-Methylpropyl o-hydroxybenzoate English
SigmaAldrich English
Isobutyl salicylate Usage And Synthesis
DescriptionIsobutyl salicylate has an orchid, wintergreen-like odor similar to amyl salicylate and a bitter taste. May be synthesized by esterification of isobutyl alcohol and salicylic acid.
Chemical PropertiesIsobutyl salicylate has a somewhat harsh, floral, herbaceous odor similar to amyl salicylate and a bitter taste.
Chemical PropertiesColorless liquid; may have slightly yellowish tinge.Soluble in alcohol and mineral oil, insoluble in water and glycerol. Combustible.
OccurrenceHas apparently not been reported to occur in nature
Usesisobutyl salicylate is used as a reactant in the new boron(III)-catalyzed esterifications and amidations of carboxylic acids and Ritter addition reaction.
UsesPerfumery, flavoring.
PreparationBy esterification of isobutyl alcohol and salicylic acid.
DefinitionChEBI: Isobutyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.
Taste threshold valuesTaste characteristics at 3 ppm: sweet, cooling, spicy with fruity nuances
Flammability and ExplosibilityNotclassified
Isobutyl salicylate Preparation Products And Raw materials
Raw materials2-Methyl-1-propanol-->Salicylic acid
Butyl salicylate Isobutyl methacrylate Ethyl 2-(Chlorosulfonyl)acetate 2'-Hydroxy-3-phenylpropiophenone Isobutylparaben Isobutyl stearate Guaiacol Isobutyl cinnamate Protocatechuic acid Glycine Diisobutyl phthalate 2,5-Dihydroxybenzoic acid 3,5-Dihydroxybenzoic acid Methyl salicylate Isobutyl acetate 2,6-Dihydroxybenzoic acid Citric acid isobutyl oleate

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