Flavor ingredient regulatory record

4-Mercapto-4-methyl-2-hexanone

4-Mercapto-4-methyl-2-hexanone is a thiol in the sulfur family, FEMA GRAS under FEMA number 4583 (CAS 851768-52-0). Its odor is pungent, sulfurous, onion, garlic, rubber.

FEMA
4583
CAS
851768-52-0
JECFA
1926
Formula
C7H14OS

GRAS status: FEMA GRAS, publication 24. Recorded by FDA in the Substances Added to Food inventory under CAS 851768-52-0.

Structure

2D structure of 4-Mercapto-4-methyl-2-hexanone
Structure of 4-Mercapto-4-methyl-2-hexanone, C7H14OS. Drawn from the canonical SMILES.

Identity

IUPAC name 4-methyl-4-sulfanylhexan-2-one
CAS number 851768-52-0
FEMA number 4583
Molecular formula C7H14OS
Molecular weight 146.25 g/mol
SMILES CCC(C)(S)CC(C)=O
InChIKey YMQSGAOXQWNUPQ-UHFFFAOYSA-N
PubChem CID 11263567
FDA UNII 78S0ASX1LS
EPA DTXSID DTXSID401005623
Chemical class Thiol
Boiling point -86 °C
Flash point -63 °C

Also known as: 4-methyl-4-sulfanylhexan-2-one, 4-mercapto-4-methylhexan-2-one, 2-hexanone, 4-mercapto-4-methyl-, (+-)-4-mercapto-4-methyl-2-hexanone, 4-mercapto-4-methyl-2-hexanone, (+-)-, 4-mercapto-4-methyl-2-hexanone, (+/-)-.

Can 4-Mercapto-4-methyl-2-hexanone 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

4-Mercapto-4-methyl-2-hexanone is FEMA GRAS under FEMA number 4583. 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 4-Mercapto-4-methyl-2-hexanone. 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 1926, evaluated at the 73rd meeting in 2010. 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: Pungent, sulfurous, onion, garlic, rubber.

Where it is used

4-Mercapto-4-methyl-2-hexanone is used in savory dishes, seasonings, meat products and snacks, typically as a sulfur note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to 4-Mercapto-4-methyl-2-hexanone by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
(+/-)-2-Mercaptomethylpentan-1-ol399590%Not determined
4-(Methylthio)-4-methyl-2-pentanone337673%In nature
Ethyl 2-Mercapto-2-methylpropionate471462%Not determined

More thiols in this index

Hydrogen sulfide · Trithioacetone · 4-(Methylthio)butanal · 2-Methylthiophene · Methyl 3-methyl-1-butenyl disulfide · 2-Thienylmercaptan

4-Mercapto-4-methyl-2-hexanone FAQ

Is 4-Mercapto-4-methyl-2-hexanone on the FEMA GRAS list?

It is. FEMA number 4583 covers 4-Mercapto-4-methyl-2-hexanone. The Code of Federal Regulations lists it at 21 CFR 172.515.

What is the FEMA number for 4-Mercapto-4-methyl-2-hexanone?

The FEMA number for 4-Mercapto-4-methyl-2-hexanone is 4583 and its CAS registry number is 851768-52-0. Its flavor category is sulfur.

What is 4-Mercapto-4-methyl-2-hexanone used for?

4-Mercapto-4-methyl-2-hexanone is described as pungent, sulfurous, onion, garlic, rubber. It shows up in savory dishes, seasonings, meat products and snacks.

What did JECFA conclude about 4-Mercapto-4-methyl-2-hexanone?

JECFA evaluated 4-Mercapto-4-methyl-2-hexanone at the 73rd meeting in 2010 under JECFA number 1926. The panel concluded: No safety concern at current levels of intake when used as a flavouring agent.

Is 4-Mercapto-4-methyl-2-hexanone approved in the EU?

No EU FL number is on file for 4-Mercapto-4-methyl-2-hexanone. It has a JECFA evaluation (JECFA 1926), which the EU list draws on, but the Union List entry itself should be confirmed before EU use.

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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 4-MERCAPTO-4-METHYL-2-HEXANONE under CAS 851768-52-0 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.