Flavor ingredient regulatory record

Methyl 3-(methylthio)butanoate

Methyl 3-(methylthio)butanoate is an ester in the fruity family, FEMA GRAS under FEMA number 4166 (CAS 207983-28-6). Its odor is sweet, fruity, tropical, apple, sulfur.

FEMA
4166
CAS
207983-28-6
JECFA
1690
EU FL
12.287
Formula
C6H12O2S

GRAS status: FEMA GRAS, publication 22. Recorded by FDA in the Substances Added to Food inventory under CAS 207983-28-6.

Structure

2D structure of Methyl 3-(methylthio)butanoate
Structure of Methyl 3-(methylthio)butanoate, C6H12O2S. Drawn from the canonical SMILES.

Identity

IUPAC name methyl 3-methylsulfanylbutanoate
CAS number 207983-28-6
FEMA number 4166
Molecular formula C6H12O2S
Molecular weight 148.23 g/mol
SMILES COC(=O)CC(C)SC
InChIKey HJJHJUWCICDDEL-UHFFFAOYSA-N
PubChem CID 547907
FDA UNII UM3BC6TPHB
EPA DTXSID DTXSID401020132
Chemical class Ester
Boiling point 87 °C
Flash point 65 °C

Also known as: Butanoic acid, 3-(methylthio)-, methyl ester, methyl 3-(methylsulfanyl)butanoate, butanoic acid, 3-(methylthio)-, methyl ester, methyl 3-(methylthio)butanoate [fhfi], 3-(methylthio) butyric acid methyl ester, 3-methylsulfanyl-butyric acid methyl ester, methyl 3-(methylthio)butanoate, (+-)-, methyl 3-methylsulfanylbutanoate, methyl 3-(methylthio)butanoate, (+/-)-, methyl 3-methylsulanylbutanoate, methyl3-(methylsulfanyl)butanoate, methyl 3-(methylsulfanyl)butanoate #.

Can Methyl 3-(methylthio)butanoate be labeled natural?

Since methyl 3-(methylthio)butanoate is found in nature, US labeling follows how it was obtained: natural flavor from a natural source and a natural process, artificial when methyl 3-(methylthio)butanoate is synthesized. The EU and UK grant the natural claim only to that natural route; Mercosur and Mexico call synthetic material 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

Methyl 3-(methylthio)butanoate is FEMA GRAS under FEMA number 4166. 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 12.287, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 1690.

Other US flags

Not on the California Proposition 65 list.

Odor and taste

Odor: Sweet, fruity, tropical, apple, sulfur.

Where it is used

Methyl 3-(methylthio)butanoate is used in beverage, confection, fruit flavors, desserts and snacks, typically as a fruity note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to Methyl 3-(methylthio)butanoate by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
Methyl 3-(methylthio)propionate272085%Not determined
Ethyl 2-(methylthio)acetate383572%In nature

More esters in this index

Phenethyl propionate · Sodium 2-(4-methoxyphenoxy)propanoate · cis-3-Hexenyl cis-3-hexenoate · Benzyl levulinate · Isoamyl phenylacetate · (E,Z)-Phytyl acetate

Methyl 3-(methylthio)butanoate FAQ

Is methyl 3-(methylthio)butanoate on the FEMA GRAS list?

It is. FEMA number 4166 covers methyl 3-(methylthio)butanoate. It is also codified at 21 CFR 172.515.

What is the FEMA number for methyl 3-(methylthio)butanoate?

The FEMA number for methyl 3-(methylthio)butanoate is 4166 and its CAS registry number is 207983-28-6. FEMA files it in the fruity flavor category.

Is methyl 3-(methylthio)butanoate natural or artificial?

Methyl 3-(methylthio)butanoate occurs in nature, so the label depends on the route: methyl 3-(methylthio)butanoate won from a natural source by a physical, enzymatic or microbiological process is natural flavor in the United States, and synthesized methyl 3-(methylthio)butanoate is artificial. In the EU and UK the natural claim likewise needs the natural route, while Mercosur and Mexico keep a third class, identical-to-natural, for the synthetic material.

Is methyl 3-(methylthio)butanoate approved in the EU?

Methyl 3-(methylthio)butanoate is on the EU Union List of flavouring substances as FL 12.287 (Annex I Part A) under Regulation 1334/2008.

Has JECFA evaluated methyl 3-(methylthio)butanoate?

Yes. JECFA number 1690.

What is methyl 3-(methylthio)butanoate used for?

Methyl 3-(methylthio)butanoate is described as sweet, fruity, tropical, apple, sulfur. It shows up in beverage, confection, fruit flavors, desserts and snacks.

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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 METHYL 3-(METHYLTHIO)BUTANOATE under CAS 207983-28-6 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.