EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl furfuryl thiol
5-methylfurfurylmercaptan

Sponsors

CAS Number: 59303-05-8Picture of molecule3D/inchi
Nikkaji Web:J827.773G
XlogP3-AA:1.50 (est)
Molecular Weight:128.19396000
Formula:C6 H8 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2090 5-methylfurfurylmercaptan
FLAVIS Number:13.149 (Old)
DG SANTE Food Flavourings:13.149 5-methyl-2-furanmethanethiol
FEMA Number:4697 5-methylfurfurylmercaptan
FDA Mainterm: 5-METHYLFURFURYLMERCAPTAN
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.04700 to 1.05700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.712 to 8.795
Refractive Index:1.52300 to 1.52900 @ 20.00 °C.
Boiling Point: 177.00 to 179.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.259000 mm/Hg @ 25.00 °C. (est)
Flash Point: 144.00 °F. TCC ( 62.22 °C. )
logP (o/w): 1.766 (est)
Soluble in:
 alcohol
 water, slightly
 water, 832.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous coffee roasted coffee coffee
Odor Description:at 0.10 % in dipropylene glycol. sulfurous roasted coffee
Flavor Type: coffee
">mustard garlic burnt meaty
Taste Description: strong mustard garlic burnt meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Blue Marble Biomaterials
5-METHYL FURFURYL MERCAPTAN ≥95%
Odor: Sulfurous, roasted
DeLong Chemicals America
5-Methylfurfurylmercaptan, Kosher
Penta International
5-METHYLFURFURYL MERCAPTAN, Kosher
Treatt
5-Methylfurfuryl mercaptan 1% in TEC
Kosher
 
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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for methyl furfuryl thiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day)
Adequate NOAEL exists: Yes
Threshold of Concern:90 (μg/person/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: 25
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.005000.05000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 0.005000.05000
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :521873
National Institute of Allergy and Infectious Diseases:Data
(5-methylfuran-2-yl)methanethiol
 
References:
 (5-methylfuran-2-yl)methanethiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):521873
Pubchem (sid):10528708
Flavornet:59303-05-8
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB39800
FooDB:FDB019450
YMDB (Yeast Metabolome Database):YMDB01503
VCF-Online:VCF Volatile Compounds in Food
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
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
2-
acetyl-6-methyl pyrazine
FL
1,2-
butane dithiol
FL
dimethyl dihydrocyclopentapyrazine
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
2-
formyl pyrrole
FL
3-
mercapto-3-methyl butyl formate
FL
methyl dihydrofuran thiol
FL
methyl methane thiosulfonate
FL
pyrazines mixture
FL
alliaceous
alliaceous
benzyl mercaptan
FL
1,3-
butane dithiol
FL
dicyclohexyl disulfide
FL
burnt
furfuryl alcohol
FL
2-
methyl quinoxaline
FL
coffee
coffee distillates
FL
coffee pyrazine
FL
difurfuryl ether
FL
diisoamyl thiomalate
FL
2,4-
dimethyl thiazole
FL
2-
thiophene thiol
FL
earthy
difurfuryl sulfide
FL
fruity
furfuryl isobutyrate
FL
furfuryl isovalerate
FL
furfuryl propionate
FL
green
2-
methyl-5-isopropyl pyrazine
FL
meaty
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
methyl 3-(methyl thio) furan
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
molasses
molasses blackstrap
FL
mustard
furfuryl methyl ether
FL
musty
2-
ethoxythiazole
FL
nutty
1-
ethyl-2-acetyl pyrrole
FL
nutty thiazole
FL
onion
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
solvent
2-
ethyl furan
FL
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
3-
methyl-2-butane thiol
FL
roasted butanol
FL
2-
thienyl mercaptan
FL
 
Potential Uses:
 cereal
FLchocolate
FLcocoa
FLcoffee
 fruit juice
 meat
FLmilk
 tea
 vegetable
 
Occurrence (nature, food, other):note
 coffee - up to 0.2 mg/kg
Search PMC Picture
 sesame roasted sesame
Search Trop Picture
 
Synonyms:
2-furanmethanethiol, 5-methyl-
5-methyl furfuryl mercaptan
(5-methyl furfuryl) mercaptan
5-methyl-2-furan methane thiol
5-methyl-2-furanmethanethiol
5-methyl-2-furfuryl thiol
5-methyl-2-furfurylthiol
(5-methyl-2-furyl)methanethiol
(5-methylfuran-2-yl)methanethiol
 methylfurfuryl mercaptan
5-methylfurfurylmercaptan
 methylfurfurylthiol
 
 
Notes:
Cysteine-derived Maillard product. Constit. of coffee, roasted sesame and yeast-extract volatiles
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