Flavor ingredient regulatory record

3-Mercapto-3-methylbutyl formate

3-Mercapto-3-methylbutyl formate is an ester in the fruity family, FEMA GRAS under FEMA number 3855 (CAS 50746-10-6). Its odor is sweet, fruity, tropical, apple, grape.

FEMA
3855
CAS
50746-10-6
JECFA
549
EU FL
12.138
Formula
C6H12O2S
EC
639-611-8

GRAS status: FEMA GRAS, publication 18. Recorded by FDA in the Substances Added to Food inventory under CAS 50746-10-6.

Structure

2D structure of 3-Mercapto-3-methylbutyl formate
Structure of 3-Mercapto-3-methylbutyl formate, C6H12O2S. Drawn from the canonical SMILES.

Identity

IUPAC name (3-methyl-3-sulfanylbutyl) formate
CAS number 50746-10-6
FEMA number 3855
Molecular formula C6H12O2S
Molecular weight 148.23 g/mol
SMILES CC(C)(S)CCOC=O
InChIKey VTAPYUYITKYXJB-UHFFFAOYSA-N
PubChem CID 526487
EC number 639-611-8
FDA UNII 52GQ058752
EPA DTXSID DTXSID60198790
Chemical class Ester
Boiling point 181 °C
Flash point 75 °C

Also known as: 1-Butanol, 3-mercapto-3-methyl-, 1-formate, 3-Sulfanyl-3-methylbutyl formate, 3-Methyl-3-sulfanylbutyl formate, 3-methyl-3-sulfanylbutyl formate, 3-mercapto-3-methylbutylformate, 3-mercapto-3-methylbutyl formate (ester), formic acid 3-mercapto-3-methyl-butyl ester, 1-butanol, 3-mercapto-3-methyl-, 1-formate, 3-methyl-3-thiobutyl formate, 3-mercapto-3-methylbutyl formate [fhfi], 3-methyl-3-sulphanylbutyl formate, 3-mercapto-3-methylbutyl formic acid.

Can 3-Mercapto-3-methylbutyl formate be labeled natural?

The process decides for 3-Mercapto-3-methylbutyl formate. It occurs in nature, so a natural-source, natural-process material is natural flavor in the US and synthetic 3-Mercapto-3-methylbutyl formate is artificial. 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

3-Mercapto-3-methylbutyl formate is FEMA GRAS under FEMA number 3855. 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 12.138, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 549, evaluated at the 53rd meeting in 1999. 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-methylbutyl formate is used in beverage, confection, fruit flavors and flavoring agents, typically as a fruity note.

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
3-Mercapto-3-methyl-1-butyl acetate432483%In nature
Isoamyl formate206970%In nature
2-Methyl-3(2-furyl)acrolein270462%In nature
4-Mercapto-4-methyl-2-hexanone458361%Not determined
Ethyl 2-Mercapto-2-methylpropionate471456%Not determined

More esters in this index

1-Octen-3-yl butyrate · Dihydrocarvyl acetate · Butyl butyryllactate · Rhodinyl isovalerate · Methyl 3-(methylthio)butanoate · Butyl phenylacetate

3-Mercapto-3-methylbutyl formate FAQ

Is 3-Mercapto-3-methylbutyl formate FEMA GRAS?

Yes. The FEMA Expert Panel lists 3-Mercapto-3-methylbutyl formate as GRAS under FEMA number 3855. The Code of Federal Regulations lists it at 21 CFR 172.515.

What are the FEMA and CAS numbers for 3-Mercapto-3-methylbutyl formate?

3-Mercapto-3-methylbutyl formate is FEMA 3855, CAS 50746-10-6. Its flavor category is fruity.

How is 3-Mercapto-3-methylbutyl formate described, and where does it show up?

Flavorists describe 3-Mercapto-3-methylbutyl formate as sweet, fruity, tropical, apple, grape. It is used in beverage, confection, fruit flavors and flavoring agents.

What did JECFA conclude about 3-Mercapto-3-methylbutyl formate?

JECFA evaluated 3-Mercapto-3-methylbutyl formate at the 53rd meeting in 1999 under JECFA number 549. The panel concluded: No safety concern at current levels of intake when used as a flavouring agent.

Is 3-Mercapto-3-methylbutyl formate on the EU Union List?

Yes. FL 12.138 is the Union List entry for 3-Mercapto-3-methylbutyl formate, annex I Part A, under Regulation 1334/2008, and the UK keeps the same list.

Does 3-Mercapto-3-methylbutyl formate count as natural in the US and the EU?

Nature makes 3-Mercapto-3-methylbutyl formate, which is why the US label turns on process. A natural route gives natural flavor; synthesis gives artificial 3-Mercapto-3-methylbutyl formate, same molecule. 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.

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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-METHYLBUTYL FORMATE under CAS 50746-10-6 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.