Flavor ingredient regulatory record

S-Methyl 2-methylbutanethioate

S-Methyl 2-methylbutanethioate is a thioester in the fruity family, FEMA GRAS under FEMA number 3708 (CAS 42075-45-6). Its odor is sweet, fruity, tropical, sulfurous, apple.

FEMA
3708
CAS
42075-45-6
JECFA
486
EU FL
12.086
Formula
C6H12OS

GRAS status: FEMA GRAS, publication 13. Recorded by FDA in the Substances Added to Food inventory under CAS 42075-45-6.

Structure

2D structure of S-Methyl 2-methylbutanethioate
Structure of S-Methyl 2-methylbutanethioate, C6H12OS. Drawn from the canonical SMILES.

Identity

IUPAC name S-methyl 2-methylbutanethioate
CAS number 42075-45-6
FEMA number 3708
Molecular formula C6H12OS
Molecular weight 132.23 g/mol
SMILES CCC(C)C(=O)SC
InChIKey IAMIOPHEADLKFT-UHFFFAOYSA-N
PubChem CID 65285
FDA UNII 251520LC0C
EPA DTXSID DTXSID90866076
Chemical class Thioester
Boiling point 153 °C
Flash point 50 °C

Also known as: Butanethioic acid, 2-methyl-, S-methyl ester, 2-Methyl-1-(methylsulfanyl)butan-1-one, methylthio 2-methylbutyrate, methyl 2-methyl(thiobutyrate), s-tropical 2-thiobutyrate, butanethioic acid, 2-methyl-, s-methyl ester, methylthio 2-methylbutyrate [fhfi], (+-)-s-methyl 2-methylbutanethioate, s-methyl 2-methylbutanethioate, (+-)-, s-methyl 2-methylthiobutyrate, butanethioicacid,2-methyl,s-methylester, db-003774.

Can S-Methyl 2-methylbutanethioate be labeled natural?

Nature occurrence: Not yet found in nature (provisional).

Nature occurrence has not been settled for this substance, so the natural or artificial class is not stated here. The FEMA GRAS status does not depend on it.

Regulatory status, with citations

United States

S-Methyl 2-methylbutanethioate is FEMA GRAS under FEMA number 3708. 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 12.086, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (JECFA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 486, evaluated at the 55th meeting in 2000. No safety concern at current levels of intake when used as a flavouring agent.

JECFA monograph

Other US flags

Not on the California Proposition 65 list.

Odor and taste

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

Where it is used

S-Methyl 2-methylbutanethioate 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 S-Methyl 2-methylbutanethioate by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
Methyl thiobutyrate331093%In nature
3-Hexanone329090%In nature
4-Hexen-3-one335287%In nature
Propyl thioacetate338587%In nature
2,3-Hexanedione255886%In nature

More thioesters in this index

2-Methyl-3-thioacetoxy-4,5-dihydrofuran · S-Furfuryl thioacetate · Propyl thioacetate · Menthone-8-thioacetate · 2,5-Dimethyl-3-thioacetoxy-tetrahydrofuran, cis and trans isomers

S-Methyl 2-methylbutanethioate FAQ

Is S-Methyl 2-methylbutanethioate FEMA GRAS?

Yes. The FEMA Expert Panel lists S-Methyl 2-methylbutanethioate as GRAS under FEMA number 3708. It is also codified at 21 CFR 172.515.

What are the FEMA and CAS numbers for S-Methyl 2-methylbutanethioate?

S-Methyl 2-methylbutanethioate is FEMA 3708, CAS 42075-45-6. FEMA files it in the fruity flavor category.

Is S-Methyl 2-methylbutanethioate on the EU Union List?

S-Methyl 2-methylbutanethioate is on the EU Union List of flavouring substances as FL 12.086 (Annex I Part A) under Regulation 1334/2008.

Has JECFA evaluated S-Methyl 2-methylbutanethioate?

Yes. JECFA number 486, evaluated at the 55th meeting in 2000. Conclusion: No safety concern at current levels of intake when used as a flavouring agent.

How is S-Methyl 2-methylbutanethioate described, and where does it show up?

Flavorists describe S-Methyl 2-methylbutanethioate as sweet, fruity, tropical, sulfurous, apple. It is used 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 METHYL 2-METHYLTHIOBUTYRATE under CAS 42075-45-6 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.