Database/Perfuming/Isoamyl Isobutyrate
Route-dependent · ISO 16128

Is Isoamyl Isobutyrate natural?

It depends. Isoamyl alcohol can come from fusel-oil fermentation (natural) or petrochemical synthesis; isobutyric acid is petrochemical in both cases.

INCI nameIsoamyl Isobutyrate
CAS2050-01-3
FormulaC9H18O2 · 158.24 Da
FunctionPerfuming
FeedstockIsoamyl alcohol is sourced either from fusel oil…

Why the score varies

This ingredient is made commercially by more than one route, and ISO 16128 scores the feedstock actually used. Without a supplier certificate of origin the value cannot be claimed.

RouteFeedstockNOIShareNotes
fermentation isoamyl alcohol (fusel oil)fusel oil from ethanol fermentation, esterified with petrochemical isobutyric acid0.55minority, est. ~25%
petrochemical isoamyl alcoholpentane/pentene synthesis, esterified with petrochemical isobutyric acid0.00majority, est. ~75%
Ask your supplier. A batch-specific certificate of origin or bio-based carbon test (ASTM D6866) settles which route applies.

How we scored it

Isoamyl-O fragment 87.1/158.2=0.55 if isoamyl alcohol is fusel-oil fermentation sourced, vs 0.0 if petrochemical (pentane route); isobutyryl fragment 71.1/158.2 is petrochemical either way. Headline shows the best route (0.55), as for every route-dependent entry on the site.
What counts. ISO 16128-2 scores the atoms that remain in the final ingredient. Reagents, solvents, catalysts and protecting groups used during manufacture leave no mass behind and are not counted.

Where it comes from

Isoamyl alcohol is sourced either from fusel oil (a fermentation by-product) or synthesised petrochemically from pentane/pentenes, then esterified with oxo-process isobutyric acid. Petrochemical isoamyl alcohol is believed to dominate bulk commodity supply.

In plain English

A fruity fragrance ester. Its alcohol part can come from a fermentation by-product or from petrochemical synthesis, so how natural it is depends on which supplier's route was used.

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Structure

2D structure of Isoamyl Isobutyrate

3-methylbutyl 2-methylpropanoate

PubChem CID 519786 ↗

References

  1. 1ISO 16128-1:2016 and ISO 16128-2:2017 — Guidelines on technical definitions and criteria for natural and organic cosmetic ingredients and products. ISO, Geneva.
  2. 2Isoamyl Isobutyrate. PubChem CID 519786. National Center for Biotechnology Information. pubchem.ncbi.nlm.nih.gov ↗
  3. 3ISOAMYL ISOBUTYRATE. CosIng — European Commission cosmetic ingredient database. ec.europa.eu/cosing ↗
  4. 4ISOAMYL ISOBUTYRATE. CosIng u2014 European Commission database for information on cosmetic substances and ingredients. https://ec.europa.eu/growth/tools-databases/cosing/search?search=ISOAMYL%20ISOBUTYRATE