Flavor ingredient regulatory record

4-Pentenyl isothiocyanate

4-Pentenyl isothiocyanate is an isothiocyanate in the spice family, FEMA GRAS under FEMA number 4427 (CAS 18060-79-2). Its odor is pungent, mustard, spicy, earthy.

FEMA
4427
CAS
18060-79-2
JECFA
1893
Formula
C6H9NS

GRAS status: FEMA GRAS, publication 23. Recorded by FDA in the Substances Added to Food inventory under CAS 18060-79-2.

Structure

2D structure of 4-Pentenyl isothiocyanate
Structure of 4-Pentenyl isothiocyanate, C6H9NS. Drawn from the canonical SMILES.

Identity

IUPAC name 5-isothiocyanatopent-1-ene
CAS number 18060-79-2
FEMA number 4427
Molecular formula C6H9NS
Molecular weight 127.21 g/mol
SMILES C=CCCCN=C=S
InChIKey DBISBKDNOKIADM-UHFFFAOYSA-N
PubChem CID 87436
FDA UNII HL8X1CRR9B
EPA DTXSID DTXSID70170986
Chemical class Isothiocyanate
Boiling point 182 °C
Flash point -13 °C

Also known as: 1-Pentene, 5-isothiocyanato-, Isothiocyanic acid, 4-pentenyl ester, 5-Isothiocyanato-1-pentene, 5-isothiocyanatopent-1-ene, 1-pentene, 5-isothiocyanato-, 5-isothiocyanato-1-pentene, 5-isothiocyano-1-pentene, 4-pentenyl isothiocyanate [fhfi], isothiocyanic acid, 4-pentenyl ester, isothiocyanic acid 4-penten-1-yl ester, 4-penten-1-yl isothiocyanate, hy-w269799.

Can 4-Pentenyl isothiocyanate be labeled natural?

The process decides for 4-Pentenyl isothiocyanate. It occurs in nature, so a natural-source, natural-process material is natural flavor in the US and synthetic 4-Pentenyl isothiocyanate is artificial. The EU and UK follow the same logic without a middle class; Mercosur and Mexico label synthetic 4-Pentenyl isothiocyanate 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

4-Pentenyl isothiocyanate is FEMA GRAS under FEMA number 4427. 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-Pentenyl isothiocyanate. 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 1893, evaluated at the 69th meeting in 2008. 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: Pungent, mustard, spicy, earthy.

Where it is used

4-Pentenyl isothiocyanate is used in condiments, seasonings, savory dishes and snack foods, typically as a spice note.

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
Amyl isothiocyanate441797%In nature
3-(Methylthio)propyl isothiocyanate331294%In nature
5-Hexenyl isothiocyanate442189%In nature
Hexyl isothiocyanate442289%In nature
Phenethyl isothiocyanate401489%In nature

More isothiocyanates in this index

Phenethyl isothiocyanate · Isoamyl isothiocyanate · 3-(Methylthio)propyl isothiocyanate · 5-Hexenyl isothiocyanate · Hexyl isothiocyanate · Isopropyl isothiocyanate

4-Pentenyl isothiocyanate FAQ

Is 4-Pentenyl isothiocyanate on the FEMA GRAS list?

It is. FEMA number 4427 covers 4-Pentenyl isothiocyanate. The Code of Federal Regulations lists it at 21 CFR 172.515.

What is the FEMA number for 4-Pentenyl isothiocyanate?

The FEMA number for 4-Pentenyl isothiocyanate is 4427 and its CAS registry number is 18060-79-2. Its flavor category is spice.

What is 4-Pentenyl isothiocyanate used for?

4-Pentenyl isothiocyanate is described as pungent, mustard, spicy, earthy. It shows up in condiments, seasonings, savory dishes and snack foods.

What did JECFA conclude about 4-Pentenyl isothiocyanate?

JECFA evaluated 4-Pentenyl isothiocyanate at the 69th meeting in 2008 under JECFA number 1893. The panel concluded: No safety concern at current levels of intake when used as a flavouring agent.

Is 4-Pentenyl isothiocyanate approved in the EU?

No EU FL number is on file for 4-Pentenyl isothiocyanate. It has a JECFA evaluation (JECFA 1893), which the EU list draws on, but the Union List entry itself should be confirmed before EU use.

Is 4-Pentenyl isothiocyanate natural or artificial?

Nature makes 4-Pentenyl isothiocyanate, which is why the US label turns on process. A natural route gives natural flavor; synthesis gives artificial 4-Pentenyl isothiocyanate, same molecule. The EU and UK grant the natural claim only to that natural route; Mercosur and Mexico call synthetic material identical-to-natural.

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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-PENTENYL ISOTHIOCYANATE under CAS 18060-79-2 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.