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℃

refractive index 

n20/D 1.509(lit.)

FEMA 

2213 | ISOBUTYL SALICYLATE

Flash point:

230 °F

pka

8.11±0.30(Predicted)

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. clover herbal orchid floral

Odor Type

floral

Water Solubility 

19.5mg/L at 20℃

JECFA Number

902

LogP

4.09 at 21.9℃

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

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

36

WGK Germany 

3

RTECS 

VO4320000

HS Code 

2918.23.5000

Toxicity

The 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

• Language:English Provider:2-Methylpropyl o-hydroxybenzoate
• Language:English Provider:SigmaAldrich

Isobutyl salicylate Usage And Synthesis

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

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

Chemical Properties

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

Occurrence

Has apparently not been reported to occur in nature

Uses

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

Uses

Perfumery, flavoring.

Definition

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

Preparation

By esterification of isobutyl alcohol and salicylic acid.

Taste threshold values

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

Flammability and Explosibility

Not classified

Isobutyl salicylate (87-19-4)Related Product Information

• Butyl salicylate
• Isobutyl methacrylate
• Citric acid
• 2,6-Dihydroxybenzoic acid
• 2'-Hydroxy-3-phenylpropiophenone
• Isobutyl acetate
• Protocatechuic acid
• Isobutylparaben
• isobutyl oleate
• Ethyl 2-(Chlorosulfonyl)acetate
• Methyl salicylate
• Glycine
• Guaiacol
• Diisobutyl phthalate
• 3,5-Dihydroxybenzoic acid
• 2,5-Dihydroxybenzoic acid
• Isobutyl stearate
• Isobutyl cinnamate