Flavor ingredient regulatory record

Butanal dibenzyl thioacetal

Butanal dibenzyl thioacetal is a thioacetal in the fruity family, FEMA GRAS under FEMA number 4589 (CAS 101780-73-8). Its odor is sweet, fruity, complex, aromatic.

FEMA
4589
CAS
101780-73-8
JECFA
1939
Formula
C18H22S2

GRAS status: FEMA GRAS, publication 24. Recorded by FDA in the Substances Added to Food inventory under CAS 101780-73-8.

Structure

2D structure of Butanal dibenzyl thioacetal
Structure of Butanal dibenzyl thioacetal, C18H22S2. Drawn from the canonical SMILES.

Identity

IUPAC name 1-benzylsulfanylbutylsulfanylmethylbenzene
CAS number 101780-73-8
FEMA number 4589
Molecular formula C18H22S2
Molecular weight 302.51 g/mol
SMILES CCCC(SCc1ccccc1)SCc1ccccc1
InChIKey UJSZFTYLKHCVNY-UHFFFAOYSA-N
PubChem CID 71587383
FDA UNII IYH666B70X
EPA DTXSID DTXSID30144183
Chemical class Thioacetal
Boiling point -201 °C
Flash point -123 °C

Also known as: butyraldehyde, dibenzyl mercaptal, 1,1'-(butane-1,1-diyl-bis(sulfanediylmethanediyl))dibenzene, 1,1-bis(benzylthio)butane, 1,1'-[butane-1,1-diylbis(sulfanediylmethylene)]dibenzene.

Can Butanal dibenzyl thioacetal 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

Butanal dibenzyl thioacetal is FEMA GRAS under FEMA number 4589. 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 Butanal dibenzyl thioacetal. 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 1939, evaluated at the 73rd meeting in 2010. Safety evaluation not completed.

JECFA monograph

Other US flags

Not on the California Proposition 65 list.

Odor and taste

Odor: Sweet, fruity, complex, aromatic.

Where it is used

Butanal dibenzyl thioacetal is used in beverage, confection, fruit flavors and flavoring agents, typically as a fruity note.

Structurally similar flavor ingredients

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

MaterialFEMASimilarityOccurrence
1,3-Diphenyl-2-propanone239769%In nature
Dibenzyl ether237166%In nature
Phenyl disulfide322564%In nature
Digeranyl ether466464%Not determined

Butanal dibenzyl thioacetal FAQ

Is butanal dibenzyl thioacetal on the FEMA GRAS list?

It is. FEMA number 4589 covers butanal dibenzyl thioacetal. The Code of Federal Regulations lists it at 21 CFR 172.515.

What is the FEMA number for butanal dibenzyl thioacetal?

The FEMA number for butanal dibenzyl thioacetal is 4589 and its CAS registry number is 101780-73-8. Its flavor category is fruity.

What is butanal dibenzyl thioacetal used for?

Butanal dibenzyl thioacetal is described as sweet, fruity, complex, aromatic. It shows up in beverage, confection, fruit flavors and flavoring agents.

What did JECFA conclude about butanal dibenzyl thioacetal?

JECFA evaluated butanal dibenzyl thioacetal at the 73rd meeting in 2010 under JECFA number 1939. The panel concluded: Safety evaluation not completed.

Is butanal dibenzyl thioacetal approved in the EU?

No EU FL number is on file for butanal dibenzyl thioacetal. It has a JECFA evaluation (JECFA 1939), 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 BUTANAL DIBENZYL THIOACETAL under CAS 101780-73-8 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.