Database/Perfuming/Phenethyl Isovalerate
Route-dependent · ISO 16128

Is Phenethyl Isovalerate natural?

It depends. Phenethyl alcohol and isovaleric acid both have natural sources, so the ester is route-dependent.

INCI namePhenethyl Isovalerate
CAS140-26-1
FormulaC13H18O2 · 206.28 Da
FunctionPerfuming
FeedstockPhenethyl alcohol (natural or synthetic) esterified with isovaleric…

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
natural phenethyl and natural isovaleric acidphenethyl of natural origin + isovaleric acid from fermentation or natural isolates1.00Every carbon natural.
natural phenethylphenethyl of natural origin + isovaleric acid from petrochemical synthesis0.59Phenethyl fragment C8H9O 121.2/206.3 = 0.59.
syntheticphenethyl and isovaleric acid both from petrochemical synthesis0.00No natural carbon.
Ask your supplier. A batch-specific certificate of origin or bio-based carbon test (ASTM D6866) settles which route applies.

How we scored it

Phenethyl Isovalerate C13H18O2 206.3 Da: the phenethyl fragment C8H9O 121.2 Da is natural only from a natural source; the isovaleric acid fragment 85.1 Da is natural only when the acid comes from fermentation or a natural isolate. Routes: natural phenethyl and natural isovaleric acid 1.00, natural phenethyl 0.59, synthetic 0.00. Headline shows the best route.
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

Phenethyl alcohol (natural or synthetic) esterified with isovaleric acid (fermentation or synthetic).

In plain English

A synthetic fragrance ingredient with a fruity, apple-like scent, used in small amounts in perfumed cosmetics.

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Structure

2D structure of Phenethyl Isovalerate

2-phenylethyl 3-methylbutanoate

PubChem CID 8792 ↗

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. 2Phenethyl Isovalerate. PubChem CID 8792. National Center for Biotechnology Information. pubchem.ncbi.nlm.nih.gov ↗
  3. 3PHENETHYL ISOVALERATE. CosIng — European Commission cosmetic ingredient database. ec.europa.eu/cosing ↗
  4. 4PHENETHYL ISOVALERATE. CosIng u2014 European Commission database for information on cosmetic substances and ingredients. https://ec.europa.eu/growth/tools-databases/cosing/search?search=PHENETHYL%20ISOVALERATE