Flavor ingredient regulatory record

4-Methyl-2-(methylthiomethyl)-2-hexenal

4-Methyl-2-(methylthiomethyl)-2-hexenal is an aldehyde in the fruity family, FEMA GRAS under FEMA number 4566 (CAS 99910-84-6). Its odor is sweet, fruity, apple, berry, green.

FEMA
4566
CAS
99910-84-6
JECFA
1919
Formula
C9H16OS

GRAS status: FEMA GRAS, publication 24. Recorded by FDA in the Substances Added to Food inventory under CAS 99910-84-6.

Structure

2D structure of 4-Methyl-2-(methylthiomethyl)-2-hexenal
Structure of 4-Methyl-2-(methylthiomethyl)-2-hexenal, C9H16OS. Drawn from the canonical SMILES.

Identity

IUPAC name (E)-4-methyl-2-(methylsulfanylmethyl)hex-2-enal
CAS number 99910-84-6
FEMA number 4566
Molecular formula C9H16OS
Molecular weight 172.29 g/mol
SMILES CCC(C)/C=C(\C=O)CSC
InChIKey GQFPHBQLLUTFPC-WEVVVXLNSA-N
PubChem CID 71587376
FDA UNII 2W7IW92688
EPA DTXSID DTXSID00912391
Chemical class Aldehyde
Boiling point -102 °C
Flash point -72 °C

Also known as: 2-hexenal, 4-methyl-2-((methylthio)methyl)-, 4-methyl-2-((methylsulfanyl)-methyl)hex-2-enal, 2-hexenal, 4-methyl-2-[(methylthio)methyl]-, (+-)-4-methyl-2-(methylthiomethyl)-2-hexenal, 4-methyl-2-(methylthiomethyl)-2-hexenal, (+-)-, 4-methyl-2-(methylthiomethyl)-2-hexenal, (+/-)-.

Can 4-Methyl-2-(methylthiomethyl)-2-hexenal 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-Methyl-2-(methylthiomethyl)-2-hexenal is FEMA GRAS under FEMA number 4566. 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-Methyl-2-(methylthiomethyl)-2-hexenal. 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 1919, 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.

Odor and taste

Odor: Sweet, fruity, apple, berry, green.

Where it is used

4-Methyl-2-(methylthiomethyl)-2-hexenal is used in beverage, confection, fruit flavors, bakery and desserts, typically as a fruity note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to 4-Methyl-2-(methylthiomethyl)-2-hexenal by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
4-Methyl-2-(methylthiomethyl)-2-pentenal456887%Not determined
5-Methyl-2-(methylthiomethyl)-2-hexenal456785%Not determined
2,8-Dithianon-4-ene-4-carboxaldehyde348383%In nature
1-(Methylthio)-3-octanone470781%Not determined
Butyl beta-(methylthio)acrylate457179%Not determined

More aldehydes in this index

Phenylacetaldehyde 2,3-butylene glycol acetal · Myristaldehyde · 2-trans,6-trans Nonadienal · p-Methoxy-alpha-methyl-cinnamaldehyde · 4-Methyl-2-(methylthiomethyl)-2-pentenal · Paraldehyde

4-Methyl-2-(methylthiomethyl)-2-hexenal FAQ

Is 4-Methyl-2-(methylthiomethyl)-2-hexenal FEMA GRAS?

Yes. The FEMA Expert Panel lists 4-Methyl-2-(methylthiomethyl)-2-hexenal as GRAS under FEMA number 4566. It is also codified at 21 CFR 172.515.

What are the FEMA and CAS numbers for 4-Methyl-2-(methylthiomethyl)-2-hexenal?

4-Methyl-2-(methylthiomethyl)-2-hexenal is FEMA 4566, CAS 99910-84-6. FEMA files it in the fruity flavor category.

Is 4-Methyl-2-(methylthiomethyl)-2-hexenal approved in the EU?

No EU FL number is on file for 4-Methyl-2-(methylthiomethyl)-2-hexenal. It has a JECFA evaluation (JECFA 1919), which the EU list draws on, but the Union List entry itself should be confirmed before EU use.

Has JECFA evaluated 4-Methyl-2-(methylthiomethyl)-2-hexenal?

Yes. JECFA number 1919, evaluated at the 73rd meeting in 2010. Conclusion: No safety concern at current levels of intake when used as a flavouring agent.

How is 4-Methyl-2-(methylthiomethyl)-2-hexenal described, and where does it show up?

Flavorists describe 4-Methyl-2-(methylthiomethyl)-2-hexenal as sweet, fruity, apple, berry, green. It is used in beverage, confection, fruit flavors, bakery and desserts.

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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-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL under CAS 99910-84-6 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.