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

Is Isoamyl Hexanoate natural?

It depends. Hexanoic acid portion is fixed natural; the isoamyl alcohol portion's sourcing route is uncertain.

INCI nameIsoamyl Hexanoate
CAS2198-61-0
FormulaC11H22O2 · 186.29 Da
FunctionPerfuming
FeedstockHexanoic (caproic) acid is a coconut/palm-kernel oil fractionation…

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
fusel-oil isoamyl alcohol + natural hexanoic acidisoamyl alcohol from fermentation byproduct; hexanoic acid from coconut/palm kernel oil1.00~35% (estimate)
petrochemical isoamyl alcohol + natural hexanoic acidisoamyl alcohol from oxo-process; hexanoic acid from coconut/palm kernel oil0.53~65% (estimate)
Ask your supplier. A batch-specific certificate of origin or bio-based carbon test (ASTM D6866) settles which route applies.

How we scored it

Hexanoic acid fragment (99.15 Da of 186.29 Da) is coconut-derived natural either way. Isoamyl alcohol fragment (87.14 Da) is fusel-oil (natural) or oxo-process (petrochemical): 186.29/186.29=1.0 or 99.15/186.29=0.53. Headline shows the best route (1.00), 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

Hexanoic (caproic) acid is a coconut/palm-kernel oil fractionation co-product, natural under either route. Isoamyl alcohol may be fusel-oil (natural) or oxo-process (petrochemical) derived.

In plain English

A fruity fragrance ester. The fatty-acid half comes from coconut oil, while the alcohol half may be from natural fermentation byproducts or from petrochemicals.

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Structure

2D structure of Isoamyl Hexanoate

3-methylbutyl hexanoate

PubChem CID 16617 ↗

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 Hexanoate. PubChem CID 16617. National Center for Biotechnology Information. pubchem.ncbi.nlm.nih.gov ↗
  3. 3ISOAMYL HEXANOATE. CosIng — European Commission cosmetic ingredient database. ec.europa.eu/cosing ↗
  4. 4ISOAMYL HEXANOATE. CosIng u2014 European Commission database for information on cosmetic substances and ingredients. https://ec.europa.eu/growth/tools-databases/cosing/search?search=ISOAMYL%20HEXANOATE