Flavor ingredient regulatory record

(S)-1-Methoxy-3-heptanthiol

(S)-1-Methoxy-3-heptanthiol is a thiol in the fruity family, FEMA GRAS under FEMA number 4162 (CAS 400052-49-5). Its odor is sweet, fruity, tropical, sulfurous, herbal.

FEMA
4162
CAS
400052-49-5
JECFA
1671
EU FL
12.276
Formula
C8H18OS

GRAS status: FEMA GRAS, publication 22. Recorded by FDA in the Substances Added to Food inventory under CAS 400052-49-5.

Structure

2D structure of (S)-1-Methoxy-3-heptanthiol
Structure of (S)-1-Methoxy-3-heptanthiol, C8H18OS. Drawn from the canonical SMILES.

Identity

IUPAC name (3S)-1-methoxyheptane-3-thiol
CAS number 400052-49-5
FEMA number 4162
Molecular formula C8H18OS
Molecular weight 162.3 g/mol
SMILES CCCC[C@H](S)CCOC
InChIKey HRYCNFLXCKVTER-QMMMGPOBSA-N
PubChem CID 12009861
FDA UNII 7QSJ4T5U48
EPA DTXSID DTXSID30193075
Chemical class Thiol
Boiling point 181 °C
Flash point 75 °C

Also known as: 3-Heptanethiol, 1-methoxy-, (3S)-, (3S)-1-Methoxy-3-heptanethiol, (s)-1-methoxy-3-heptanethiol, 1-methoxy-3-heptanethiol, (3s)-, 3-heptanethiol, 1-methoxy-, (3s)-, (3s)-1-methoxyheptane-3-thiol, (s1)-1-methoxy-3-heptanethiol [fhfi], (3s)-1-methoxy-3-heptanethiol, (s1)-1-methoxy-3-heptanethiol, (s1)-methoxy-3-heptanethiol, 2-heptoxyethanethiol.

Can (S)-1-Methoxy-3-heptanthiol 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

(S)-1-Methoxy-3-heptanthiol is FEMA GRAS under FEMA number 4162. 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 12.276, Annex I Part A under Regulation (EC) 1334/2008, evaluation status approved (EFSA). The UK retains the same list.

JECFA (WHO / FAO)

JECFA number 1671, evaluated at the 68th meeting in 2007. no safety concern at current levels of intake.

JECFA monograph

Other US flags

Not on the California Proposition 65 list. Listed on the EPA TSCA inventory.

Odor and taste

Odor: Sweet, fruity, tropical, sulfurous, herbal.

Taste: Sweet, fruity, savory.

Where it is used

(S)-1-Methoxy-3-heptanthiol is used in beverage, confection, fruit flavors, savory dishes and snacks, typically as a fruity note.

Structurally similar flavor ingredients

Flavor ingredients with a GRAS determination closest to (S)-1-Methoxy-3-heptanthiol by structure. Whether one can replace it is a sensory and regulatory call; the reformulation tool works that through.

MaterialFEMASimilarityOccurrence
cis-3-Octen-1-ol346770%In nature
cis-5-Octenal374965%In nature
3-Mercaptohexanol385064%In nature
cis-6-Nonenal358061%In nature

More thiols in this index

1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene · S-Furfuryl thiopropionate · 2-Pentenyl-4-propyl-1,3-oxathiane · 2-Methyl-4-propyl-1,3-oxathiane · Triethylthialdine · S-Methyl 3-methylbutanethioate

(S)-1-Methoxy-3-heptanthiol FAQ

Does (S)-1-Methoxy-3-heptanthiol have FEMA GRAS status?

(S)-1-Methoxy-3-heptanthiol holds FEMA GRAS status under FEMA number 4162. It is also codified at 21 CFR 172.515.

How do I cite (S)-1-Methoxy-3-heptanthiol by FEMA or CAS number?

Cite (S)-1-Methoxy-3-heptanthiol as FEMA 4162 or CAS 400052-49-5; both point to the same entry. FEMA files it in the fruity flavor category.

Can (S)-1-Methoxy-3-heptanthiol be used in the EU and UK?

(S)-1-Methoxy-3-heptanthiol is on the EU Union List of flavouring substances as FL 12.276 (Annex I Part A) under Regulation 1334/2008.

Has JECFA evaluated (S)-1-Methoxy-3-heptanthiol?

Yes. JECFA number 1671, evaluated at the 68th meeting in 2007. Conclusion: no safety concern at current levels of intake.

What does (S)-1-Methoxy-3-heptanthiol smell and taste like, and where is it used?

The odor of (S)-1-Methoxy-3-heptanthiol is sweet, fruity, tropical, sulfurous, herbal. On the palate it is sweet, fruity, savory. Typical uses are beverage, confection, fruit flavors, savory dishes and snacks.

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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 (S1)-METHOXY-3-HEPTANETHIOL under CAS 400052-49-5 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.