Flavor ingredient regulatory record

3-Isopropenyl-6-oxoheptanoic acid

3-Isopropenyl-6-oxoheptanoic acid is an acid in the fruity family, FEMA GRAS under FEMA number 4461 (CAS 4436-82-2). Its odor is fruity, tangy, green, slightly floral.

FEMA
4461
CAS
4436-82-2
JECFA
1954
Formula
C10H16O3

GRAS status: FEMA GRAS, publication 24. Recorded by FDA in the Substances Added to Food inventory under CAS 4436-82-2.

Structure

2D structure of 3-Isopropenyl-6-oxoheptanoic acid
Structure of 3-Isopropenyl-6-oxoheptanoic acid, C10H16O3. Drawn from the canonical SMILES.

Identity

IUPAC name 6-oxo-3-prop-1-en-2-ylheptanoic acid
CAS number 4436-82-2
FEMA number 4461
Molecular formula C10H16O3
Molecular weight 184.23 g/mol
SMILES C=C(C)C(CCC(C)=O)CC(=O)O
InChIKey NJOIWWRMLFSDTM-UHFFFAOYSA-N
PubChem CID 4488713
FDA UNII 1NC781145Q
EPA DTXSID DTXSID00963207
Chemical class Acid
Boiling point 173 °C
Flash point 71 °C

Also known as: Heptanoic acid, 3-(1-methylethenyl)-6-oxo-, Heptanoic acid, 3-isopropenyl-6-oxo-, 3-(1-Methylethenyl)-6-oxoheptanoic acid, Limononic acid, heptanoic acid, 3-isopropenyl-6-oxo-, limononic acid, heptanoic acid, 3-(1-methylethenyl)-6-oxo-, (+-)-3-isopropenyl-6-oxoheptanoic acid, 3-isopropenyl-6-oxoheptanoic acid, (+-)-, 6-oxo-3-(prop-1-en-2-yl)heptanoic acid, 6-oxo-3-prop-1-en-2-ylheptanoic acid, (+/-)-3-isopropenyl-6-oxoheptanoic acid.

Can 3-Isopropenyl-6-oxoheptanoic acid 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

3-Isopropenyl-6-oxoheptanoic acid is FEMA GRAS under FEMA number 4461. 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 3-Isopropenyl-6-oxoheptanoic acid. 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 1954.

Other US flags

Not on the California Proposition 65 list.

Odor and taste

Odor: Fruity, tangy, green, slightly floral.

Where it is used

3-Isopropenyl-6-oxoheptanoic acid is used in beverage, sauces, dressings and confection, typically as a fruity note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to 3-Isopropenyl-6-oxoheptanoic acid by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
6-Hydroxycarvone452369%In nature
Dihydrocarvyl acetate238068%In nature
cis and trans-p-1(7)8-Menthadien-2-yl acetate384867%Not determined
Adipic acid201157%In nature
Carveol224753%In nature

More acids in this index

Phenylacetic acid · 3-Methoxybenzoic acid · cis-5-Octenoic acid · 3-Isopropenylpentanedioic acid · Isovaleric acid · 5-Oxooctanoic acid

3-Isopropenyl-6-oxoheptanoic acid FAQ

Is 3-Isopropenyl-6-oxoheptanoic acid FEMA GRAS?

Yes. The FEMA Expert Panel lists 3-Isopropenyl-6-oxoheptanoic acid as GRAS under FEMA number 4461. The Code of Federal Regulations lists it at 21 CFR 172.515.

What are the FEMA and CAS numbers for 3-Isopropenyl-6-oxoheptanoic acid?

3-Isopropenyl-6-oxoheptanoic acid is FEMA 4461, CAS 4436-82-2. Its flavor category is fruity.

How is 3-Isopropenyl-6-oxoheptanoic acid described, and where does it show up?

Flavorists describe 3-Isopropenyl-6-oxoheptanoic acid as fruity, tangy, green, slightly floral. It is used in beverage, sauces, dressings and confection.

What did JECFA conclude about 3-Isopropenyl-6-oxoheptanoic acid?

JECFA evaluated 3-Isopropenyl-6-oxoheptanoic acid under JECFA number 1954.

Is 3-Isopropenyl-6-oxoheptanoic acid approved in the EU?

No EU FL number is on file for 3-Isopropenyl-6-oxoheptanoic acid. It has a JECFA evaluation (JECFA 1954), 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 3-ISOPROPENYL-6-OXOHEPTANOIC ACID under CAS 4436-82-2 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.