ISOBUTYL BENZOATE Chemical Properties

Boiling point:

241-242 °C(lit.)

Density 

0.996 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.495(lit.)

FEMA 

2185 | ISOBUTYL BENZOATE

Flash point:

205 °F

solubility 

Insoluble in water, miscible with alcohol and oils

form 

Liquid

color 

Clear colorless

Odor

at 100.00 %. sweet fruity musty powdery balsam

Odor Type

balsamic

JECFA Number

856

BRN 

2045961

Dielectric constant

5.9（-7℃）

LogP

3.23

CAS DataBase Reference

120-50-3(CAS DataBase Reference)

EPA Substance Registry System

Isobutyl benzoate (120-50-3)

Safety Information

Safety Statements 

24/25

WGK Germany 

2

RTECS 

DH4185000

TSCA 

Yes

HS Code 

29163100

Toxicity

The acute oral LD₅₀ value in rats was eported as 3.7 mg/kg (3.19-4.29 mg/kg) (Levenstein,1973). The acute dermal LD 50 value in rabbits was reported as > 5 ml/kg (Levenstein, 1973).

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

ISOBUTYL BENZOATE Usage And Synthesis

Description

Isobutyl benzoate has a floral-leafy odor reminiscent of rose and geranium. May be prepared from benzoic acid and isobutyl alcohol in the presence of HCL catalyst; or by ester exchange between methylbenzoate and isobutyl alcohol in the presence of potassium isobutylate.

Chemical Properties

Isobutyl benzoate has a green, floral-leafy odor reminiscent of rose and geranium.

Chemical Properties

clear colorless liquid

Occurrence

Reported found in cocoa, banana, cherry, papaya, beer and cider.

Uses

2-Methylpropyl Ester Benzoic Acid is an volatile aroma compound found in natural wild cherry wine, litchi ice wine and squid. 2-Methylpropyl Ester Benzoic Acid is also a found as a component in essential oils like Dittrichia graveolens (L.) Greuter, Hypericum rumeliacum Boiss. and Alpinia Officinarum rhizomes.

Uses

Perfumes and flavors.

Definition

ChEBI: A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.

Preparation

From benzoic acid and isobutyl alcohol in the presence of HCl catalyst, or by ester exchange between methylbenzoate and isobutyl alcohol in the presence of potassium isobutylate

Taste threshold values

Taste characteristics at 30 ppm: chemical with a sweet, fruity nuance.

ISOBUTYL BENZOATE(120-50-3)Related Product Information

• PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER
• 2-Ethylhexyl 4-dimethylaminobenzoate
• Isobutyl salicylate
• Bis(2-ethylhexyl) phthalate
• NEOPENTYL GLYCOL DIBENZOATE
• Androstanolone 17-benzoate
• CATALPIN
• HAMAMELITANNIN
• Isobutylparaben
• 2-Ethylhexyl 4-hydroxybenzoate
• 4-AMINOBENZOIC ACID ISOBUTYL ESTER
• Diisobutyl phthalate
• MENTHYL SALICYLATE
• Picroside II
• PENTAERYTHRITOL TETRABENZOATE
• Isobutyl anthranilate
• Isobutyl 3,5-diamino-4-chloro benzoate
• ISOBUTYL GALLATE