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Receptors

Compound Summary

General Compound Information

1-propanethiol

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Description

Propane-1-thiol is an alkanethiol that is propane substituted by a thiol group at position 1. It has a role as a plant metabolite.

Synonyms

1-Propanethiol; Propane-1-thiol; Propanethiol; 107-03-9; PROPYL MERCAPTAN;

n-Propylmercaptan;n-Propyl mercaptan;n-Propylthiol;1-Mercaptopropane;1-Propylmercaptan;Propylthiol;1-Propyl mercaptan;Thiopropyl alcohol;n-Thiopropyl alcohol;1-propylthiol;FEMA No. 3521;79869-58-2;n-C3H7SH;4AB0N08V2H;CHEBI:8473;Mercaptan C3;propylmercaptan;n-propanethiol;propan-1-thiol;CCRIS 1246;HSDB 1037;propanethiol, sodium salt;EINECS 203-455-5;BRN 1696860;propanthiol;UNII-4AB0N08V2H;Propanethiols;propane thiol;propyl thiol;1-propanthiol;1-Propanethoil;1-propane thiol;1-propyl thiol;n-PrSH;MFCD00004900;1-Propanethiol, 99%;51285-52-0;Propyl mercaptan, >=97%;3-Mercaptopropyl Silica Gel;4-01-00-01449 (Beilstein Handbook Reference);PROPYL MERCAPTAN [FCC];PROPYL MERCAPTAN [FHFI];PROPYL MERCAPTAN [HSDB];CHEMBL1236818;DTXSID5026750;FEMA 3521;ZINC897490;Propyl mercaptan, analytical standard;AKOS000121933;1-Propanethiol, natural, >=98%, FG;FT-0608279;FT-0625298;M1979;P0488;Propanethiols [UN2402] [Flammable liquid];EN300-31221;C08390;A801560;Q161679;J-001693;F8880-8482;

FlavorDB ID

3384

PUBCHEM ID

Molecular Weight

76.16 Molecular Formula

C3H8S

Openeye Can Smiles

CCCS

IUPAC Inchikey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell		6.434e-3 µmol/L	durian	details
smell	rotten, durian-like	6.434e-3 µmol/L	durian	details
smell	rotten, durian-like	6.434e-3 µmol/L	durian	details
smell	NA	9.732e-3 µmol/L	water	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
PROPYL MERCAPTAN is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 1-Propane-1-thiol

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2224	MSI/FC	=	1	mg/kg	Pigs
2224	MSI/FC	=	1	mg/kg	Poultry
2224	MSI/FC	=	1.5	mg/kg	Animal not used for food production - unspecified
2224	MSI/FC	=	1.5	mg/kg	Cattle
2224	MSI/FC	=	1.5	mg/kg	Salmons

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA FEEDAP	2013	2224	No data

EFSA Outputs

Output ID	Title	DOI	Published
2224	Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species	doi:10.2903/j.efsa.2013.3208	13May2013

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

1-propanethiol

Description

Propane-1-thiol is an alkanethiol that is propane substituted by a thiol group at position 1. It has a role as a plant metabolite.

Synonyms

1-Propanethiol; Propane-1-thiol; Propanethiol; 107-03-9; PROPYL MERCAPTAN;

FlavorDB ID

3384

PUBCHEM ID

7848

Molecular Weight

76.16

Molecular Formula

C3H8S

Openeye Can Smiles

CCCS

IUPAC Inchikey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

1-propanethiol

Description

Propane-1-thiol is an alkanethiol that is propane substituted by a thiol group at position 1. It has a role as a plant metabolite.

Synonyms

1-Propanethiol; Propane-1-thiol; Propanethiol; 107-03-9; PROPYL MERCAPTAN;

FlavorDB ID

3384

PUBCHEM ID

7848

Molecular Weight

76.16

Molecular Formula

C3H8S

Openeye Can Smiles

CCCS

IUPAC Inchikey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component 1-Propane-1-thiol

GC-MS Spectrum