(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
cis and trans-2,5-dimethyltetrahydrofuran-3-thiol
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 26486-21-5Picture of molecule3D/inchi
FDA UNII: 5862WM787P
MDL: MFCD23701759
XlogP3-AA: 1.40 (est)
Molecular Weight: 132.22584000
Formula: C6 H12 O S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: According to JECFA: Min. assay value is "96 (mixture of 4 stereoisomers)". Composition of mixture to be specified. Mixture of stereoisomers: 40-50% 2S,3R,5R: 25-30% 2R,3S,5S: 15-20% 2R,3R,5S: 5-10% 2S,3S,5R: others <5% (EFFA, 2015). According to JECFA: Min. Assay value is ‘96 (mixture of 4 stereoisomers)’. Composition of stereoisomeric mixture to be specified.
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1091  2,5-dimethyl-3-tetrahydrofuranthiol, cis and trans isomers
DG SANTE Food Flavourings: 13.193  2,5-dimethyltetrahydro-3-furanthiol
FEMA Number: 3971 cis and trans-2,5-dimethyltetrahydrofuran-3-thiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):26486-21-5 ; 2,5-DIMETHYL-3-MERCAPTOTETRAHYDROFURAN
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Physical Properties:
Appearance: pale yellow to amber yellow clear liquid (est)
Assay: 96.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.04000 to 1.04800 @  20.00 °C.
Pounds per Gallon - (est).: 8.664 to  8.731
Refractive Index: 1.47700 to 1.48400 @  20.00 °C.
Boiling Point: 175.00 °C. @ 25.00 mm Hg
Boiling Point: 173.00 to  174.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 1.720000 mmHg @ 25.00 °C. (est)
Flash Point: 137.00 °F. TCC ( 58.33 °C. ) (est)
logP (o/w): 1.110 (est)
Soluble in:
 alcohol
 water, 3567 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 sulfurous  roasted  meaty  onion  
Odor Description:
at 0.10 % in propylene glycol. 
sulfury roasted meat onion
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
3-Furanthiol,tetrahydro-2,5-dimethyl-
Matrix Scientific
For experimental / research use only.
2,5-Dimethyltetrahydrofuran-3-thiol, 95+%
Parchem
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for (Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.90 (μg/capita/day)
NOEL (No Observed Effect Level): 8.30 (mg/kg bw per day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 0.400000.80000
beverages(nonalcoholic): 0.200000.40000
beverages(alcoholic): 0.200000.40000
breakfast cereal: --
cheese: --
chewing gum: 1.000002.00000
condiments / relishes: 0.200000.40000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.600000.60000
fruit ices: 0.200000.40000
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.20000
hard candy: 0.400000.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.200000.40000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.200000.40000
soft candy: 0.300000.60000
soups: 0.200000.40000
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf
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)
View page or View pdf
Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf
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)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 20442793
National Institute of Allergy and Infectious Diseases: Data
 2,5-dimethyltetrahydrofuran-3-thiol
Chemidplus: 0026486215
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References:
 2,5-dimethyltetrahydrofuran-3-thiol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 20442793
Pubchem (sid): 135358251
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32237
FooDB: FDB009319
ChemSpider: View
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 methyl furfuryl disulfideFL/FR
 rum etherFL/FR
chocolate
2,6-dimethyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
 nutty pyrazineFL/FR
fermented
 ethyl crotonateFL/FR
fruity
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
2-heptyl furanFL/FR
(E,Z)-2,6-nonadienalFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
musty
 hazelnut pyrazineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
phenolic
2,3-dimethyl benzofuranFL/FR
ortho-guaiacolFL/FR
4-vinyl phenolFL/FR
 pyroligneous acidsFL/FR
 benzothiazoleFL/FR
 cocoa essenceFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl 3-mercaptobutyrateFL/FR
 ethyl 3-mercaptopropionateFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
2-mercaptopropionic acidFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
2-(methyl thio) phenolFL/FR
1-phenethyl mercaptanFL/FR
tobacco
 methyl benzoxoleFL/FR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-methyl pyrimidineFL
 amyl mercaptanFL
1,2-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
2,5-diethyl thiazoleFL
 dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazineFL
 dimethyl tetrasulfideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
bis(2,5-dimethyl-3-furyl) disulfideFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptobutyrateFL/FR
 ethyl 3-mercaptopropionateFL/FR
2-ethyl-3-methyl thiopyrazineFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
2-hexyl thiopheneFL
1-(3-hydroxy-5-methyl-2-thienyl) ethanoneFL
3-mercapto-3-methyl butyl formateFL
4-mercapto-3-methyl-2-butanolFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl dihydrofuran thiolFL
 methyl methane thiosulfonateFL
2-methyl thiazolidineFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-1-butane thiolFL
4-methyl-2-(methyl thiomethyl)-2-hexenalFL
2-methyl-2-thiazolineFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
1,9-nonane dithiolFL
1-phenethyl mercaptanFL/FR
isopropyl disulfideFL
2-isopropyl-3-(methyl thio) pyrazineFL
 thiazoleFL
3-thienyl mercaptanFL
 thioacetic acidFL
3,5-diisopropyl-1,2,4-trithiolaneFL
3,5-dimethyl-1,2,4-trithiolaneFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,4-dimethyl-3-oxazolineFL
4-mercapto-2-pentanone 1% in acetoinFL
2-methyl-1-methyl thio-2-buteneFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
1-(2-thienyl) butanoneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dimethyl trisulfideFL/FR
3-mercapto-2-pentanoneFL
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
 rum etherFL/FR
chemical
2,3-dimethyl benzofuranFL/FR
2,5-dimethyl furanFL
chocolate
 cocoa essenceFL/FR
coffee
 coffee difuranFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 furfuryl mercaptanFL/FR
 methyl furfuryl disulfideFL/FR
 methyl furfuryl thiolFL
earthy
 difurfuryl sulfideFL
1,8-octane dithiolFL
eggy
isopropyl mercaptanFL
fatty
2-heptyl furanFL/FR
4-methyl nonanoic acidFL/FR
2-pentyl thiopheneFL
fruity
 tropical trithianeFL/FR
green
4-methyl thiazoleFL
(E,Z)-2,6-nonadienalFL/FR
4-penten-1-yl acetateFL
meaty
4-allyl-2,6-dimethoxyphenolFL
 benzothiazoleFL/FR
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
 furfuryl 2-methyl-3-furyl disulfideFL
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 methyl thiofuryl butanalFL
12-methyl tridecanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-3-thioacetoxytetrahydrofuranFL
 phenyl mercaptanFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
moldy
 strawberry furanone methyl etherFL/FR
musty
 hazelnut pyrazineFL/FR
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-4-methyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,6-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
 methyl benzoxoleFL/FR
 nutty pyrazineFL/FR
 nutty thiazoleFL
onion
 ethyl 2-mercaptopropionateFL/FR
 furfuryl isopropyl sulfideFL
phenolic
2-ethyl benzene thiolFL
4-vinyl phenolFL/FR
popcorn
2-propionyl-2-thiazolineFL
radish
3-(methyl thio) propyl mercaptoacetateFL
roasted
 furfuryl thioacetateFL/FR
 hexyl mercaptanFL
rummy
 ethyl crotonateFL/FR
smoky
 prosopis juliflora wood extractFL
 pyroligneous acidsFL/FR
sulfurous
2,3-butane dithiolFL
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
 roasted butanolFL
vegetable
 tyramineFL
wasabi
2-(methyl thio) ethyl acetateFL
woody
ortho-guaiacolFL/FR
yeasty
 faex extractsFL
 
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Potential Uses:
 meatFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(Z+E)-2,5-dimethyl tetrahydrofuran-3-thiol
(Z+E)-2,5-dimethyl-3-mercaptotetrahydrofuran
(Z+E)-2,5-dimethyl-3-tetrahydrofuranthiol
2,5-dimethyl-3-tetrahydrofuranthiol, cis and trans isomers
2,5-dimethyltetrahydro-3-furanthiol
2,5-dimethyltetrahydrofuran-3-thiol
cis and trans-2,5-dimethyltetrahydrofuran-3-thiol
 tetrahydro-2,5-dimethyl furan-3-thiol
 tetrahydro-2,5-dimethylfuran-3-thiol
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