Skip to Content
Merck
All Photos(1)

Documents

W218707

Sigma-Aldrich

Isobutyl butyrate

≥98%, FCC, FG

Synonym(s):

2-Methylpropyl butanoate, 2-Methylpropyl butyrate, Isobutyl butanoate, NSC 406938

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3CH2CH2CO2CH2CH(CH3)2
CAS Number:
539-90-2
Molecular Weight:
144.21
FEMA Number:
2187
EC Number:
208-729-8
Council of Europe no.:
269
MDL number:
MFCD00027134
UNSPSC Code:
12164502
PubChem Substance ID:
24900900
Flavis number:
9.043
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

5 (vs air)

Assay

≥98%

refractive index

n20/D 1.403 (lit.)

bp

157-158 °C (lit.)

density

0.861 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

berry; fruity; sweet

SMILES string

CCCC(=O)OCC(C)C

InChI

1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3

InChI key

RGFNRWTWDWVHDD-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

Isobutyl butyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the volatile compounds produced in ripening bananas.

Pictograms

FlameEnvironment
GHS02,GHS09

Signal Word

Warning

Hazard Statements

H226,H411

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

114.8 °F - closed cup

Flash Point(C)

46 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Burdock GA
Encyclopedia of Food and Color Additives, 1, 1447-1448 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 1447-1448 (1997)
Optimization of solid-phase microextraction analysis for studying the change of headspace flavor compounds of banana during ripening
Liu TT & Yang TS
Journal of Agricultural and Food Chemistry, 50(4), 653-657 (2002)
Production of volatiles by ripening bananas.
Macku C & Jennings WG
Journal of Agricultural and Food Chemistry, 35(5), 845-848 (1987)
Rachel S Leisso et al.
Physiologia plantarum, 153(2), 204-220 (2014-06-20)
'Soggy breakdown' (SB) is an internal flesh disorder of 'Honeycrisp' apple (Malus × domestica Borkh.) fruit that occurs during low temperature storage. The disorder is a chilling injury (CI) in which visible symptoms typically appear after several weeks of storage

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service