Flavor ingredient regulatory record

Diisopentyl thiomalate

Diisopentyl thiomalate is a thiol in the fruity family, FEMA GRAS under FEMA number 4096 (CAS 68084-03-7). Its odor is sweet, fruity, tropical, sulfurous.

FEMA
4096
CAS
68084-03-7
JECFA
1672
EU FL
12.108
Formula
C14H26O4S
EC
268-416-7

GRAS status: FEMA GRAS, publication 22. Recorded by FDA in the Substances Added to Food inventory under CAS 68084-03-7.

Structure

2D structure of Diisopentyl thiomalate
Structure of Diisopentyl thiomalate, C14H26O4S. Drawn from the canonical SMILES.

Identity

IUPAC name bis(3-methylbutyl) 2-sulfanylbutanedioate
CAS number 68084-03-7
FEMA number 4096
Molecular formula C14H26O4S
Molecular weight 290.43 g/mol
SMILES CC(C)CCOC(=O)CC(S)C(=O)OCCC(C)C
InChIKey HHNLQBYPOOATIP-UHFFFAOYSA-N
PubChem CID 106530
EC number 268-416-7
FDA UNII R38N4Y43EC
EPA DTXSID DTXSID90867462
Chemical class Thiol
Boiling point 140 °C
Flash point 114 °C

Also known as: Butanedioic acid, 2-mercapto-, 1,4-bis(3-methylbutyl) ester, Butanedioic acid, mercapto-, bis(3-methylbutyl) ester, 1,4-Bis(3-methylbutyl) 2-mercaptobutanedioate, Diisoamyl thiomalate, diisoamyl thiomalate, bis(3-methylbutyl) mercaptosuccinate, butanedioic acid, mercapto-, bis(3-methylbutyl) ester, 1,4-bis(3-methylbutyl) 2-sulfanylbutanedioate, butanedioic acid, 2-mercapto-, 1,4-bis(3-methylbutyl) ester, diisopentyl thiomalate [fhfi], bis(3-methylbutyl)mercaptosuccinate, bis(3-methylbutyl) 2-sulfanylbutanedioate.

Can Diisopentyl thiomalate 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

Diisopentyl thiomalate is FEMA GRAS under FEMA number 4096. 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 12.108, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 1672, evaluated at the 68th meeting in 2007. 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.

TSCA Inventory status

A flavor ingredient is also an industrial chemical. Diisopentyl thiomalate appears on the EPA Toxic Substances Control Act Chemical Substance Inventory under CAS 68084-03-7, where EPA names it Butanedioic acid, 2-mercapto-, 1,4-bis(3-methylbutyl) ester.

Inactive in US commerce

EPA designates this substance inactive, so a Notice of Activity Form B is required before anyone manufactures or processes it again. Being FEMA GRAS does not change that. 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: Sweet, fruity, tropical, sulfurous.

Where it is used

Diisopentyl thiomalate is used in beverage, confection, fruit flavors and savory dishes, typically as a fruity note.

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
2-Tetrahydrofurfuryl 2-mercaptopropionate453578%Not determined
D,L-Menthol(+/-)-propylene glycol carbonate399269%In nature
(-)-Menthol 1- and 2-propylene glycol carbonate380669%Not determined
Tributyl acetylcitrate308066%In nature
Isoamyl laurate207766%In nature

More thiols in this index

S-Furfuryl thiopropionate · (+/-) 4-Methyl-2-propyl-1,3-oxathiane · (S)-1-Methoxy-3-heptanthiol · 3-Mercaptohexanal · (+/-) 3-(Ethylthio)butanol · S-Methyl thiofuroate

Diisopentyl thiomalate FAQ

Does diisopentyl thiomalate have FEMA GRAS status?

Diisopentyl thiomalate holds FEMA GRAS status under FEMA number 4096. It is also codified at 21 CFR 172.515.

How do I cite diisopentyl thiomalate by FEMA or CAS number?

Cite diisopentyl thiomalate as FEMA 4096 or CAS 68084-03-7; both point to the same entry. FEMA files it in the fruity flavor category.

Can diisopentyl thiomalate be used in the EU and UK?

Diisopentyl thiomalate is on the EU Union List of flavouring substances as FL 12.108 (Annex I Part A) under Regulation 1334/2008.

Has JECFA evaluated diisopentyl thiomalate?

Yes. JECFA number 1672, evaluated at the 68th meeting in 2007. Conclusion: No safety concern at current levels of intake when used as a flavouring agent.

What does diisopentyl thiomalate smell and taste like, and where is it used?

The odor of diisopentyl thiomalate is sweet, fruity, tropical, sulfurous. Typical uses are beverage, confection, fruit flavors and savory dishes.

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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 DIISOPENTYL THIOMALATE under CAS 68084-03-7 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.