Isobutyl salicylate

CAS NO.：87-19-4
Empirical Formula: C11H14O3
Molecular Weight: 194.23
MDL number: MFCD00020035
EINECS: 201-729-9
SAFETY DATA SHEET (SDS)
Update Date: 2023-06-08 17:06:39

What is Isobutyl salicylate ?

Description

Isobutyl 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 properties

Colorless liquid; may have slightly yellowish tinge.Soluble in alcohol and mineral oil, insoluble in water and glycerol. Combustible.

Chemical properties

Isobutyl salicylate has a somewhat harsh, floral, herbaceous odor similar to amyl salicylate and a bitter taste.

Occurrence

Has apparently not been reported to occur in nature

The Uses of Isobutyl salicylate

isobutyl salicylate is used as a reactant in the new boron(III)-catalyzed esterifications and amidations of carboxylic acids and Ritter addition reaction.

The Uses of Isobutyl salicylate

Perfumery, flavoring.

Preparation

By esterification of isobutyl alcohol and salicylic acid.

Definition

ChEBI: Isobutyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

Taste threshold values

Taste characteristics at 3 ppm: sweet, cooling, spicy with fruity nuances

Flammability and Explosibility

Not classified

Properties of Isobutyl salicylate

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.)
Flash point:	230 °F
form	clear liquid
pka	8.11±0.30(Predicted)
color	Colorless to Almost colorless
Odor	at 10.00 % in dipropylene glycol. clover herbal orchid floral
Water Solubility	19.5mg/L at 20℃
JECFA Number	902
CAS DataBase Reference	87-19-4(CAS DataBase Reference)
NIST Chemistry Reference	Benzoic acid, 2-hydroxy-, 2-methylpropyl ester(87-19-4)
EPA Substance Registry System	Benzoic acid, 2-hydroxy-, 2-methylpropyl ester (87-19-4)

Safety information for Isobutyl salicylate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.