Flavor ingredient regulatory record

Allyl thiohexanoate

Allyl thiohexanoate is a thiol in the fruity family, FEMA GRAS under FEMA number 4076 (CAS 156420-69-8). Its odor is sweet, fruity, tropical, sulfurous.

FEMA
4076
CAS
156420-69-8
JECFA
1681
EU FL
12.275
Formula
C9H16OS

GRAS status: FEMA GRAS, publication 22. Recorded by FDA in the Substances Added to Food inventory under CAS 156420-69-8.

Structure

2D structure of Allyl thiohexanoate
Structure of Allyl thiohexanoate, C9H16OS. Drawn from the canonical SMILES.

Identity

IUPAC name S-prop-2-enyl hexanethioate
CAS number 156420-69-8
FEMA number 4076
Molecular formula C9H16OS
Molecular weight 172.29 g/mol
SMILES C=CCSC(=O)CCCCC
InChIKey TVKQYQGVHJUGJH-UHFFFAOYSA-N
PubChem CID 71587538
FDA UNII 8KK7J07P1Z
EPA DTXSID DTXSID401019876
Chemical class Thiol
Boiling point 196 °C
Flash point 83 °C

Also known as: Hexanethioic acid, S-2-propen-1-yl ester, Hexanethioic acid, S-2-propenyl ester, S-2-Propen-1-yl hexanethioate, allyl thiohexanoate [fhfi], 2-(allylsulfanyl)-1-heptene hydrate, hexanethioic acid, s-2-propenyl ester, hexanethioic acid, s-2-propen-1-yl ester, s-prop-2-enyl hexanethioate, allylthiohexanoate, s-allyl thio-hexanoate, s-prop-2-en-1-yl hexanethioate.

Can Allyl thiohexanoate be labeled natural?

Allyl thiohexanoate occurs in nature, so the label depends on the route: allyl thiohexanoate won from a natural source by a physical, enzymatic or microbiological process is natural flavor in the United States, and synthesized allyl thiohexanoate is artificial. The EU and UK follow the same logic without a middle class; Mercosur and Mexico label synthetic allyl thiohexanoate identical-to-natural.

United States
Natural or artificial, by process
European Union and UK
Natural only from natural material
Mercosur and Mexico
Natural or identical-to-natural

How each market defines the classes: natural vs artificial flavor under 21 CFR 101.22.

Regulatory status, with citations

United States

Allyl thiohexanoate is FEMA GRAS under FEMA number 4076. It is cited in the Code of Federal Regulations at 21 CFR 172.515.

21 CFR 172.515

European Union and United Kingdom

Listed on the Union List of flavouring substances as FL 12.275, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 1681, evaluated at the 68th meeting in 2007. no safety concern at current levels of intake.

JECFA monograph

Other US flags

Not on the California Proposition 65 list.

Odor and taste

Odor: Sweet, fruity, tropical, sulfurous.

Where it is used

Allyl thiohexanoate is used in beverage, confection, fruit flavors and savory dishes, typically as a fruity note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to Allyl thiohexanoate by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
Allyl hexanoate203290%In nature
1-Octen-3-one351589%In nature
Ethyl 4-pentenoate436088%In nature
Ethyl 2-methyl-4-pentenoate348986%In nature
(E)-1,5-Octadien-3-one440586%In nature

More thiols in this index

2-Pentenyl-4-propyl-1,3-oxathiane · 2-Tetrahydrofurfuryl 2-mercaptopropionate · 2-Methyl-3-furanthiol · 2-Methyl-4-propyl-1,3-oxathiane · Ethyl 2-Mercapto-2-methylpropionate · (+/-)-cis- and trans-2-Pentyl-4-propyl-1,3-oxathiane

Allyl thiohexanoate FAQ

Is allyl thiohexanoate on the FEMA GRAS list?

It is. FEMA number 4076 covers allyl thiohexanoate. It is also codified at 21 CFR 172.515.

What is the FEMA number for allyl thiohexanoate?

The FEMA number for allyl thiohexanoate is 4076 and its CAS registry number is 156420-69-8. FEMA files it in the fruity flavor category.

Is allyl thiohexanoate natural or artificial?

Since allyl thiohexanoate is found in nature, US labeling follows how it was obtained: natural flavor from a natural source and a natural process, artificial when allyl thiohexanoate is synthesized. The EU and UK follow the same logic without a middle class; Mercosur and Mexico label synthetic allyl thiohexanoate identical-to-natural.

Is allyl thiohexanoate approved in the EU?

Allyl thiohexanoate is on the EU Union List of flavouring substances as FL 12.275 (Annex I Part A) under Regulation 1334/2008.

Has JECFA evaluated allyl thiohexanoate?

Yes. JECFA number 1681, evaluated at the 68th meeting in 2007. Conclusion: no safety concern at current levels of intake.

What is allyl thiohexanoate used for?

Allyl thiohexanoate is described as sweet, fruity, tropical, sulfurous. It shows up in beverage, confection, fruit flavors and savory dishes.

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Sources and attribution. The identity and regulatory facts on this page are taken from the FDA Substances Added to Food inventory, a US government record, which lists this substance as ALLYL THIOHEXANOATE under CAS 156420-69-8 and carries its FEMA number, its JECFA flavor number. The inventory is searchable at FDA. FDA records its technical effect as flavoring agent or adjuvant.

A FEMA GRAS conclusion is reached by the Expert Panel of the Flavor and Extract Manufacturers Association of the United States, and the FEMA number names that conclusion. FEMA publishes its own entry for this substance in the FEMA Flavor Library, which is the authoritative record of what the Panel decided and is worth reading alongside this page.

Ambrose Compliance is not affiliated with, endorsed by, or sponsored by FEMA. FEMA and FEMA GRAS are used here as identifiers for a published regulatory determination, not as marks of any relationship between FEMA and Ambrose.

About this page. Facts come from the FDA Substances Added to Food inventory, the Code of Federal Regulations, the EPA TSCA Inventory, the EU Union List, JECFA and the Ambrose database, with FEMA's published determination cited where it applies; parts of the text are written by Ambrose AI, which can make mistakes. Check the cited source before relying on anything here. This is not regulatory or legal advice.