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Compound Summary

General Compound Information

2-methyl-3-furanthiol

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Description

2-Methyl-3-furanthiol is a heteroarene.

Synonyms

2-Methyl-3-furanthiol; 28588-74-1; 2-Methylfuran-3-thiol; 3-FURANTHIOL, 2-METHYL-; 2-methyl-3-furanethiol;

2-Methyl-3-mercaptofuran;2-Methyl-3-furylthiol;3-Mercapto-2-methylfuran;2-Methyl-3-furylmercaptan;2-methyl-furan-3-thiol;FEMA No. 3188;2-methyl-3-sulfanylfuran;2-methyl-3-mercapto-furan;2-Methyl, 3-furanethiol;Furan-3-thiol, 2-methyl;DTXSID5047118;N21RW1N179;Oxycyclothione 030;EINECS 249-094-7;UNII-N21RW1N179;MFCD00010280;2-methyluran-3-thiol;2-methyl-3-furan thiol;2-Methyl-3-mercapto furan;SCHEMBL691744;CHEMBL3188696;DTXCID3027118;FEMA 3188;CHEBI:167074;METHYL-3-FURANTHIOL, 2-;Tox21_302709;2-Methyl-3-furanthiol, 95%, FG;2-Methyl-3-furanthiol (90per cent);AKOS015897434;ZINC100013729;2-METHYL-3-FURYLTHIOL [FHFI];CS-W011245;SB60941;2-Methyl-3-furanthiol, technical grade;NCGC00256792-01;AS-47693;CAS-28588-74-1;DB-021329;FT-0612940;M1847;EN300-126929;F15479;Q-100360;Q27284403;

FlavorDB ID

290 PUBCHEM ID

Molecular Weight

114.17 Molecular Formula

C5H6OS

Openeye Can Smiles

CC1=C(C=CO1)S

IUPAC Inchikey

RUYNUXHHUVUINQ-UHFFFAOYSA-N

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Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	meaty, bouillon-like	3.000e-5 µmol/L		details

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

Food Additive Safety (OFAS)
2-METHYL-3-FURANTHIOL is used for FLAVOR ENHANCER, 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: 2-Methylfuran-3-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

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
2051	Rat	oral: feed	90	NOAEL	=	5	mg/kg bw/day	no adverse effect observed at single/highest dose
2054	Rat	oral: feed	90	NOEL	=	5	mg/kg bw/day	not reported	not reported
2620	Rat	oral: feed	90	NOEL	=	5	mg/kg bw/day	not reported	not reported
2768	Rat	Not reported	90	NOAEL	=	5	mg/kg bw/day	no adverse effect observed at single/highest dose

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
2768	MSI/FC	=	0.1	mg/day	Chicken for egg production
2768	MSI/FC	=	0.1	mg/day	Chicken for meat production
2768	MSI/FC	=	0.1	mg/day	Salmons
2768	MSI/FC	=	0.15	mg/day	Cats as pet
2768	MSI/FC	=	0.6	mg/day	Turkeys for meat production
2768	MSI/FC	=	0.75	mg/day	Dogs as pet
2768	MSI/FC	=	1	mg/day	Pigs - less than 1 year old
2768	MSI/FC	=	5	mg/day	Cattle for meat production - less than 1 year old
2768	MSI/FC	=	5	mg/day	Pigs for meat production
2768	MSI/FC	=	10	mg/day	Pigs for reproduction
2768	MSI/FC	=	20	mg/day	Cattle for meat production
2768	MSI/FC	=	32.5	mg/day	Cattle for milk production

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA CEF	2010	2051	Not determined
EFSA CEF	2010	2054	Not determined
EFSA CEF	2015	2620	Not determined
EFSA FEEDAP	2016	2768	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2051	Flavouring Group Evaluation 13, Revision 1 (FGE.13Rev1): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14	doi:10.2903/j.efsa.2010.1403	19Apr2010
2054	Scientific Opinion on Flavouring Group Evaluation 65 (FGE.65): Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of ?Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14? evaluated by EFSA in FGE.13Rev1 (2009).	doi:10.2903/j.efsa.2010.1406	13Jul2010
2620	Scientific Opinion on Flavouring Group Evaluation 65, Revision 1 (FGE.65Rev1): Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of 'Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14' evaluated by EFSA in FGE.13Rev2 (2011)	doi:10.2903/j.efsa.2015.4024	18Feb2015
2768	Safety and efficacy of furfuryl and furan derivatives belonging to chemical group 14 when used as flavourings for all animal species and categories	doi:10.2903/j.efsa.2016.4389	12Feb2016

Receptors

Receptor information of this compound is not available!

GC-MS Consensus Spectra

GC-MS Consensus Spectra information of this compound is not available!

Content

Compound Summary

2-methyl-3-furanthiol

Description

2-Methyl-3-furanthiol is a heteroarene.

Synonyms

2-Methyl-3-furanthiol; 28588-74-1; 2-Methylfuran-3-thiol; 3-FURANTHIOL, 2-METHYL-; 2-methyl-3-furanethiol;

FlavorDB ID

290

PUBCHEM ID

34286

Molecular Weight

114.17

Molecular Formula

C5H6OS

Openeye Can Smiles

CC1=C(C=CO1)S

IUPAC Inchikey

RUYNUXHHUVUINQ-UHFFFAOYSA-N

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Content

Compound Summary

2-methyl-3-furanthiol

Description

2-Methyl-3-furanthiol is a heteroarene.

Synonyms

2-Methyl-3-furanthiol; 28588-74-1; 2-Methylfuran-3-thiol; 3-FURANTHIOL, 2-METHYL-; 2-methyl-3-furanethiol;

FlavorDB ID

290

PUBCHEM ID

34286

Molecular Weight

114.17

Molecular Formula

C5H6OS

Openeye Can Smiles

CC1=C(C=CO1)S

IUPAC Inchikey

RUYNUXHHUVUINQ-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

OpenFoodTox: component 2-Methylfuran-3-thiol