Flavor ingredient regulatory record

Amyl isothiocyanate

Amyl isothiocyanate is a thiocyanate in the spice family, FEMA GRAS under FEMA number 4417 (CAS 629-12-9). Its odor is pungent, mustard, sharp, sulfurous.

FEMA
4417
CAS
629-12-9
JECFA
1891
Formula
C6H11NS

GRAS status: FEMA GRAS, publication 23. Recorded by FDA in the Substances Added to Food inventory under CAS 629-12-9.

Structure

2D structure of Amyl isothiocyanate
Structure of Amyl isothiocyanate, C6H11NS. Drawn from the canonical SMILES.

Identity

IUPAC name 1-isothiocyanatopentane
CAS number 629-12-9
FEMA number 4417
Molecular formula C6H11NS
Molecular weight 129.23 g/mol
SMILES CCCCCN=C=S
InChIKey SGHJUJBYMSVAJY-UHFFFAOYSA-N
PubChem CID 69415
FDA UNII KL6U8NL15R
EPA DTXSID DTXSID10212071
Chemical class Thiocyanate
Boiling point 91 °C
Flash point 29 °C

Also known as: Pentane, 1-isothiocyanato-, Isothiocyanic acid, pentyl ester, 1-Isothiocyanatopentane, Pentyl isothiocyanate, n-Pentyl isothiocyanate, 1-Pentyl isothiocyanate, pentyl isothiocyanate, 1-isothiocyanatopentane, 1-pentyl isothiocyanate, n-pentyl isothiocyanate, pentane, 1-isothiocyanato-, amyl isothiocyanate [fhfi].

Can Amyl isothiocyanate be labeled natural?

Nature makes amyl isothiocyanate, which is why the US label turns on process. A natural route gives natural flavor; synthesis gives artificial amyl 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.

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

Amyl isothiocyanate is FEMA GRAS under FEMA number 4417. 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 Amyl 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 1891, 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, sharp, sulfurous.

Where it is used

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

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
4-Pentenyl isothiocyanate442797%In nature
3-(Methylthio)propyl isothiocyanate331295%In nature
Hexyl isothiocyanate442292%In nature
Phenethyl isothiocyanate401489%In nature
5-Hexenyl isothiocyanate442186%In nature

More thiocyanates in this index

Ethyl isothiocyanate · Butyl isothiocyanate

Amyl isothiocyanate FAQ

Does amyl isothiocyanate have FEMA GRAS status?

Amyl isothiocyanate holds FEMA GRAS status under FEMA number 4417. The Code of Federal Regulations lists it at 21 CFR 172.515.

How do I cite amyl isothiocyanate by FEMA or CAS number?

Cite amyl isothiocyanate as FEMA 4417 or CAS 629-12-9; both point to the same entry. Its flavor category is spice.

What does amyl isothiocyanate smell and taste like, and where is it used?

The odor of amyl isothiocyanate is pungent, mustard, sharp, sulfurous. Typical uses are condiments, savory dishes, snack foods and seasonings.

What did JECFA conclude about amyl isothiocyanate?

JECFA evaluated amyl isothiocyanate at the 69th meeting in 2008 under JECFA number 1891. The panel concluded: No safety concern at current levels of intake when used as a flavouring agent.

Is amyl isothiocyanate approved in the EU?

No EU FL number is on file for amyl isothiocyanate. It has a JECFA evaluation (JECFA 1891), which the EU list draws on, but the Union List entry itself should be confirmed before EU use.

Can amyl isothiocyanate be labeled a natural flavor?

The process decides for amyl isothiocyanate. It occurs in nature, so a natural-source, natural-process material is natural flavor in the US and synthetic amyl isothiocyanate is artificial. 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 AMYL ISOTHIOCYANATE under CAS 629-12-9 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.