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CAS 539-90-2

CAS 539-90-2 matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 539-90-2
CAS 539-90-2PubChem CID 10885

Isobutyl butyrate

Isobutyl butyrate is a butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery. It has a role as a metabolite and a flavouring agent. It is functionally related to an isobutanol. — ChEBI

IUPAC name
2-methylpropyl butanoate
Molecular formula
C8H16O2
Molecular weight
144.21 g/mol
Exact mass
144.115029749 Da
XLogP3
2.3
Topological polar surface area
26.3 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
2
Covalent units
1
Defined stereocentres
0

Also known as

Isobutyl n-butyrateButanoic acid, 2-methylpropyl esterIsobutyl butyrate (natural)EINECS 208-729-8UNII-827NDQ0P0WBRN 1747322827NDQ0P0Wiso-Butyl n-butyrate
16 more reported names
AI3-11267NSC-406938ISOBUTYL BUTYRATE [FCC]CHEBI:87683FEMA 2187ISOBUTYL N-BUTYRATE [MI]4-02-00-00790 (Beilstein Handbook Reference)Isobutyl butanoic acidIsobutyl N-butyric acidButyrate, isobutyl esterButanoate, isobutyl esterRefChem:1490772-Methylpropyl butyric acid2-Methylpropyl butanoic acidButanoate, methyl propyl esterButanoate, 2-methylpropyl ester
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

Records for CAS 539-90-2

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How CAS 539-90-2 is used on this site

CAS 539-90-2 is the Chemical Abstracts Service identifier used to pin this page to a specific substance. In the current dataset, 0 EU annex records share this identifier, which helps you cross-check whether the same substance appears under one regulatory context or several.

Use this page when a supplier specification, SDS or raw-material dossier gives you CAS 539-90-2 and you need to see every linked Annex II–VI record in one place. The entry cards above are the quickest route to concentration limits, warnings, annex placement and product-type conditions.