Flavor ingredient regulatory record

5-Methyl-2-(methylthiomethyl)-2-hexenal

5-Methyl-2-(methylthiomethyl)-2-hexenal is an aldehyde in the fruity family, FEMA GRAS under FEMA number 4567 (CAS 85407-25-6). Its odor is sweet, fruity, apple, sulfurous, green.

FEMA
4567
CAS
85407-25-6
JECFA
1920
Formula
C9H16OS

GRAS status: FEMA GRAS, publication 24. Recorded by FDA in the Substances Added to Food inventory under CAS 85407-25-6.

Structure

2D structure of 5-Methyl-2-(methylthiomethyl)-2-hexenal
Structure of 5-Methyl-2-(methylthiomethyl)-2-hexenal, C9H16OS. Drawn from the canonical SMILES.

Identity

IUPAC name (E)-5-methyl-2-(methylsulfanylmethyl)hex-2-enal
CAS number 85407-25-6
FEMA number 4567
Molecular formula C9H16OS
Molecular weight 172.29 g/mol
SMILES CSC/C(C=O)=C/CC(C)C
InChIKey FHZUYUPNOHOVIC-WEVVVXLNSA-N
PubChem CID 21999737
FDA UNII 709DSH95S8
EPA DTXSID DTXSID30234614
Chemical class Aldehyde
Boiling point 96 °C
Flash point 31 °C

Also known as: 2-hexenal, 5-methyl-2-((methylthio)methyl)-, 5-methyl-2-((methylsulfanyl)-methyl)hex-2-enal, methyl-2-(methylthiomethyl)-2-hexenal, (2e)-5-methyl-2-[(methylsulfanyl)methyl]hex-2-enal.

Can 5-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

5-Methyl-2-(methylthiomethyl)-2-hexenal is FEMA GRAS under FEMA number 4567. 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 5-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 1920.

Other US flags

Not on the California Proposition 65 list.

Odor and taste

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

Where it is used

5-Methyl-2-(methylthiomethyl)-2-hexenal 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 5-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-hexenal456685%Not determined
2-Methyl-2-octenal371181%In nature
2,8-Dithianon-4-ene-4-carboxaldehyde348377%In nature
1-(Methylthio)-3-octanone470776%Not determined
(+/-)-Isobutyl 3-methylthiobutyrate415062%In nature

More aldehydes in this index

1,3-p-Menthadien-7-al · 2-trans-4-cis-7-cis-Tridecatrienal · 1-Ethyl-2-pyrrolecarboxaldehyde · alpha-Hexylcinnamaldehyde · 2-(p-Tolyl)propionaldehyde · Heptanal propyleneglycol acetal

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

Does 5-Methyl-2-(methylthiomethyl)-2-hexenal have FEMA GRAS status?

5-Methyl-2-(methylthiomethyl)-2-hexenal holds FEMA GRAS status under FEMA number 4567. The Code of Federal Regulations lists it at 21 CFR 172.515.

How do I cite 5-Methyl-2-(methylthiomethyl)-2-hexenal by FEMA or CAS number?

Cite 5-Methyl-2-(methylthiomethyl)-2-hexenal as FEMA 4567 or CAS 85407-25-6; both point to the same entry. Its flavor category is fruity.

What does 5-Methyl-2-(methylthiomethyl)-2-hexenal smell and taste like, and where is it used?

The odor of 5-Methyl-2-(methylthiomethyl)-2-hexenal is sweet, fruity, apple, sulfurous, green. Typical uses are beverage, confection, fruit flavors and flavoring agents.

What did JECFA conclude about 5-Methyl-2-(methylthiomethyl)-2-hexenal?

JECFA evaluated 5-Methyl-2-(methylthiomethyl)-2-hexenal under JECFA number 1920.

Is 5-Methyl-2-(methylthiomethyl)-2-hexenal approved in the EU?

No EU FL number is on file for 5-Methyl-2-(methylthiomethyl)-2-hexenal. It has a JECFA evaluation (JECFA 1920), 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 5-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL under CAS 85407-25-6 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.