Flavor ingredient regulatory record

3-Mercaptohexanal

3-Mercaptohexanal is a thiol in the fruity family, FEMA GRAS under FEMA number 4585 (CAS 51755-72-7). Its odor is sulfurous, fruity, green, herbaceous.

FEMA
4585
CAS
51755-72-7
JECFA
1929
EU FL
12.250
Formula
C6H12OS

GRAS status: FEMA GRAS, publication 24. Recorded by FDA in the Substances Added to Food inventory under CAS 51755-72-7.

Structure

2D structure of 3-Mercaptohexanal
Structure of 3-Mercaptohexanal, C6H12OS. Drawn from the canonical SMILES.

Identity

IUPAC name 3-sulfanylhexanal
CAS number 51755-72-7
FEMA number 4585
Molecular formula C6H12OS
Molecular weight 132.23 g/mol
SMILES CCCC(S)CC=O
InChIKey MMODARXIJRCRGL-UHFFFAOYSA-N
PubChem CID 527445
FDA UNII 7YS9XL4686
EPA DTXSID DTXSID60966057
Chemical class Thiol
Boiling point -42 °C
Flash point -41 °C

Also known as: hexanal, 3-mercapto-, 3-sulfanylhexanal, (+-)-3-mercaptohexanal, 3-mercaptohexanal, (+-)-, 3-mercaptohexanal, (+/-)-, en300-7143824.

Can 3-Mercaptohexanal 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

3-Mercaptohexanal is FEMA GRAS under FEMA number 4585. 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 12.250, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 1929.

Other US flags

Not on the California Proposition 65 list. Listed on the EPA TSCA inventory.

Odor and taste

Odor: Sulfurous, fruity, green, herbaceous.

Where it is used

3-Mercaptohexanal is used in savory dishes, snack foods, seasonings and sauces, typically as a fruity note.

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
3-Mercaptohexanol385092%In nature
3-Mercapto-2-methylpentanal399485%In nature
3-Methylhexanal426175%Not determined
cis-3-Hexenal256170%In nature
3-Hexenal392370%In nature

More thiols in this index

(+/-) 4-Methyl-2-propyl-1,3-oxathiane · (+/-) 3-(Ethylthio)butanol · S-Furfuryl thiopropionate · (+/-)-cis- and trans-2-Pentyl-4-propyl-1,3-oxathiane · Methyl isobutanethioate · 2-Methyl-3-tetrahydrofuranthiol

3-Mercaptohexanal FAQ

Does 3-Mercaptohexanal have FEMA GRAS status?

3-Mercaptohexanal holds FEMA GRAS status under FEMA number 4585. The Code of Federal Regulations lists it at 21 CFR 172.515.

How do I cite 3-Mercaptohexanal by FEMA or CAS number?

Cite 3-Mercaptohexanal as FEMA 4585 or CAS 51755-72-7; both point to the same entry. Its flavor category is fruity.

What does 3-Mercaptohexanal smell and taste like, and where is it used?

The odor of 3-Mercaptohexanal is sulfurous, fruity, green, herbaceous. Typical uses are savory dishes, snack foods, seasonings and sauces.

What did JECFA conclude about 3-Mercaptohexanal?

JECFA evaluated 3-Mercaptohexanal under JECFA number 1929.

Can 3-Mercaptohexanal be used in the EU and UK?

Yes. FL 12.250 is the Union List entry for 3-Mercaptohexanal, annex I Part A, under Regulation 1334/2008, and the UK keeps the same list.

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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-MERCAPTOHEXANAL under CAS 51755-72-7 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.