Skip to Content
Merck
CN
All Photos(1)

Documents

Safety Information

W218715

Sigma-Aldrich

Isobutyl butyrate

natural, ≥98%, FCC, FG

Sign Into View Organizational & Contract Pricing
All Photos(1)
Synonym(s):
2-Methylpropyl butanoate, 2-Methylpropyl butyrate, Isobutyl butanoate, NSC 406938
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.:
269c
MDL number:
MFCD00027134
UNSPSC Code:
12164502
PubChem Substance ID:
24900901
Flavis number:
9.043
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

400

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117

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

fragrance 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

Related Categories

General description

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

Pictograms

FlameEnvironment
GHS02,GHS09

Signal Word

Warning

Hazard Statements

H226,H411

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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