Flavor ingredient regulatory record

Phenethyl isothiocyanate

Phenethyl isothiocyanate is an isothiocyanate in the spice family, FEMA GRAS under FEMA number 4014 (CAS 2257-09-2). Its odor is pungent, mustard-like, spicy, sulfurous.

FEMA
4014
CAS
2257-09-2
JECFA
1563
EU FL
12.193
Formula
C9H9NS
EC
218-855-5

GRAS status: FEMA GRAS, publication 20. Recorded by FDA in the Substances Added to Food inventory under CAS 2257-09-2.

Structure

2D structure of Phenethyl isothiocyanate
Structure of Phenethyl isothiocyanate, C9H9NS. Drawn from the canonical SMILES.

Identity

IUPAC name 2-isothiocyanatoethylbenzene
CAS number 2257-09-2
FEMA number 4014
Molecular formula C9H9NS
Molecular weight 163.25 g/mol
SMILES S=C=NCCc1ccccc1
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
PubChem CID 16741
EC number 218-855-5
FDA UNII 6U7TFK75KV
EPA DTXSID DTXSID5021120
Chemical class Isothiocyanate
Boiling point 143 °C
Flash point 56 °C

Also known as: Benzene, (2-isothiocyanatoethyl)-, Isothiocyanic acid, phenethyl ester, (2-Isothiocyanatoethyl)benzene, Phenethyl mustard oil, β-Phenylethyl isothiocyanate, Phenylethyl isothiocyanate, Phenylethyl mustard oil, 2-Phenylethyl isothiocyanate, β-Phenethyl isothiocyanate, NSC 87868, JC 5411, 1-(2-Isothiocyanatoethyl)benzene.

Can Phenethyl isothiocyanate be labeled natural?

Since phenethyl isothiocyanate is found in nature, US labeling follows how it was obtained: natural flavor from a natural source and a natural process, artificial when phenethyl isothiocyanate is synthesized. In the EU and UK the natural claim likewise needs the natural route, while Mercosur and Mexico keep a third class, identical-to-natural, for the synthetic material.

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

Phenethyl isothiocyanate is FEMA GRAS under FEMA number 4014. 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 12.193, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 1563, evaluated at the 65th meeting in 2005. ACCEPTABLE (CONDITIONAL).

JECFA monograph

Other US flags

Not on the California Proposition 65 list.

TSCA Inventory status

A flavor ingredient is also an industrial chemical. Phenethyl isothiocyanate appears on the EPA Toxic Substances Control Act Chemical Substance Inventory under CAS 2257-09-2, where EPA names it Benzene, (2-isothiocyanatoethyl)-.

Active in US commerce

EPA designates this substance active, so no Notice of Activity Form B is required before manufacturing. What active and inactive mean.

EPA publishes no regulatory flags on this listing. What the flags mean.

From the EPA non-confidential TSCA Inventory, July 2026 release. EPA also maintains a confidential portion it does not publish. Search the Inventory by CAS number.

Odor and taste

Odor: Pungent, mustard-like, spicy, sulfurous.

Where it is used

Phenethyl isothiocyanate is used in seasoning, condiment, snack foods and sauces, typically as a spice note.

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
Hexyl isothiocyanate442291%In nature
5-Hexenyl isothiocyanate442189%In nature
Amyl isothiocyanate441789%In nature
4-Pentenyl isothiocyanate442789%In nature
3-(Methylthio)propyl isothiocyanate331289%In nature

More isothiocyanates in this index

4-Pentenyl isothiocyanate · 5-(Methylthio)pentyl isothiocyanate · 2-Butyl isothiocyanate · Isoamyl isothiocyanate · Hexyl isothiocyanate · 3-(Methylthio)propyl isothiocyanate

Phenethyl isothiocyanate FAQ

Is phenethyl isothiocyanate FEMA GRAS?

Yes. The FEMA Expert Panel lists phenethyl isothiocyanate as GRAS under FEMA number 4014. It is also codified at 21 CFR 172.515.

What are the FEMA and CAS numbers for phenethyl isothiocyanate?

Phenethyl isothiocyanate is FEMA 4014, CAS 2257-09-2. FEMA files it in the spice flavor category.

Does phenethyl isothiocyanate count as natural in the US and the EU?

Phenethyl isothiocyanate occurs in nature, so the label depends on the route: phenethyl isothiocyanate won from a natural source by a physical, enzymatic or microbiological process is natural flavor in the United States, and synthesized phenethyl isothiocyanate is artificial. The EU and UK follow the same logic without a middle class; Mercosur and Mexico label synthetic phenethyl isothiocyanate identical-to-natural.

Is phenethyl isothiocyanate on the EU Union List?

Phenethyl isothiocyanate is on the EU Union List of flavouring substances as FL 12.193 (Annex I Part A) under Regulation 1334/2008.

Has JECFA evaluated phenethyl isothiocyanate?

Yes. JECFA number 1563, evaluated at the 65th meeting in 2005. Conclusion: ACCEPTABLE (CONDITIONAL).

How is phenethyl isothiocyanate described, and where does it show up?

Flavorists describe phenethyl isothiocyanate as pungent, mustard-like, spicy, sulfurous. It is used in seasoning, condiment, snack foods and sauces.

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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 PHENETHYL ISOTHIOCYANATE under CAS 2257-09-2 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.