Flavor ingredient regulatory record

3-Mercapto-3-methyl-1-butyl acetate

3-Mercapto-3-methyl-1-butyl acetate is an ester in the fruity family, FEMA GRAS under FEMA number 4324 (CAS 50746-09-3). Its odor is sweet, fruity, tropical, apple, grape.

FEMA
4324
CAS
50746-09-3
JECFA
1706
Formula
C7H14O2S

GRAS status: FEMA GRAS, publication 23. Recorded by FDA in the Substances Added to Food inventory under CAS 50746-09-3.

Structure

2D structure of 3-Mercapto-3-methyl-1-butyl acetate
Structure of 3-Mercapto-3-methyl-1-butyl acetate, C7H14O2S. Drawn from the canonical SMILES.

Identity

IUPAC name (3-methyl-3-sulfanylbutyl) acetate
CAS number 50746-09-3
FEMA number 4324
Molecular formula C7H14O2S
Molecular weight 162.25 g/mol
SMILES CC(=O)OCCC(C)(C)S
InChIKey HEZWKNVLHZGPOE-UHFFFAOYSA-N
PubChem CID 6420388
FDA UNII 8A69461ME8
EPA DTXSID DTXSID50198789
Chemical class Ester
Boiling point 69 °C
Flash point 17 °C

Also known as: 1-Butanol, 3-mercapto-3-methyl-, 1-acetate, 3-Mercapto-3-methylbutyl acetate, 3-Methyl-3-sulfanylbutyl acetate, 3-methyl-3-sulfanylbutyl acetate, 3-mercapto-3-methylbutyl acetate, 1-butanol, 3-mercapto-3-methyl-, 1-acetate, 3-m-3mba, (3-methyl-3-sulfanylbutyl) acetate, 3-mercapto-3-methyl-1-butyl acetate [fhfi], acetic acid, 3-mercapto-3-methylbutyl ester, 3-mercapto-3-methylbutyl- acetate, (3-methyl-3-sulanylbutyl) acetate.

Can 3-Mercapto-3-methyl-1-butyl acetate be labeled natural?

3-Mercapto-3-methyl-1-butyl acetate occurs in nature, so the label depends on the route: 3-Mercapto-3-methyl-1-butyl acetate won from a natural source by a physical, enzymatic or microbiological process is natural flavor in the United States, and synthesized 3-Mercapto-3-methyl-1-butyl acetate 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.

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

3-Mercapto-3-methyl-1-butyl acetate is FEMA GRAS under FEMA number 4324. It is cited in the Code of Federal Regulations at 21 CFR 172.515.

21 CFR 172.515

European Union and United Kingdom

No EU FL number is on file for 3-Mercapto-3-methyl-1-butyl acetate. That is not a finding either way. The Union List covers defined flavouring substances, so natural complex materials are handled as flavouring preparations under Parts B to F and never receive a number, and substances used as additives sit under Regulation 1333/2008 instead. Confirm the position before EU or UK use.

JECFA (WHO / FAO)

JECFA number 1706, evaluated at the 68th meeting in 2007. 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. Listed on the EPA TSCA inventory.

Odor and taste

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

Where it is used

3-Mercapto-3-methyl-1-butyl acetate is used in beverage, confection, fruit flavors, ice cream and flavoring agents, typically as a fruity note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to 3-Mercapto-3-methyl-1-butyl acetate by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
p-Mentha-8-thiol-3-one317783%In nature
3-Mercapto-3-methylbutyl formate385583%In nature
1-p-Menthene-8-thiol370072%In nature
4-Mercapto-4-methyl-2-hexanone458360%Not determined

More esters in this index

Isoamyl salicylate · 3-Octyl butyrate · Methyl octanoate · 1-Octen-3-yl acetate · 3-Hexenyl phenylacetate · Ethyl trans-2-cis-4-decadienoate

3-Mercapto-3-methyl-1-butyl acetate FAQ

Does 3-Mercapto-3-methyl-1-butyl acetate have FEMA GRAS status?

3-Mercapto-3-methyl-1-butyl acetate holds FEMA GRAS status under FEMA number 4324. It is also codified at 21 CFR 172.515.

How do I cite 3-Mercapto-3-methyl-1-butyl acetate by FEMA or CAS number?

Cite 3-Mercapto-3-methyl-1-butyl acetate as FEMA 4324 or CAS 50746-09-3; both point to the same entry. FEMA files it in the fruity flavor category.

Can 3-Mercapto-3-methyl-1-butyl acetate be labeled a natural flavor?

Since 3-Mercapto-3-methyl-1-butyl acetate is found in nature, US labeling follows how it was obtained: natural flavor from a natural source and a natural process, artificial when 3-Mercapto-3-methyl-1-butyl acetate is synthesized. 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 3-Mercapto-3-methyl-1-butyl acetate approved in the EU?

No EU FL number is on file for 3-Mercapto-3-methyl-1-butyl acetate. It has a JECFA evaluation (JECFA 1706), which the EU list draws on, but the Union List entry itself should be confirmed before EU use.

Has JECFA evaluated 3-Mercapto-3-methyl-1-butyl acetate?

Yes. JECFA number 1706, evaluated at the 68th meeting in 2007. Conclusion: No safety concern at current levels of intake when used as a flavouring agent.

What does 3-Mercapto-3-methyl-1-butyl acetate smell and taste like, and where is it used?

The odor of 3-Mercapto-3-methyl-1-butyl acetate is sweet, fruity, tropical, apple, grape. Typical uses are beverage, confection, fruit flavors, ice cream and flavoring agents.

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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 3-MERCAPTO-3-METHYL-1-BUTYL ACETATE under CAS 50746-09-3 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.