2-methyl-3-furyl methyl thiomethyl disulfide

flavoring agents

2D:
3D:
CAS Number:	333384-99-9
FDA UNII:	X0X80JZ9JC
Category:	flavoring agents
IUPAC Name:	2-methyl-3-furyl methyl thiomethyl disulfide
InChI :	InChI=1/C7H10OS3/c1-6-7(3-4-8-6)11-10-5-9-2/h3-4H,5H2,1-2H3
Std.InChI:	InChI=1S/C7H10OS3/c1-6-7(3-4-8-6)11-10-5-9-2/h3-4H,5H2,1-2H3
InChIKey :	WQZZYRQOADSWHJ-UHFFFAOYAN
Std.InChIKey:	WQZZYRQOADSWHJ-UHFFFAOYSA-N
SMILES :	CC1=C(C=CO1)SSCSC
Molar Refractivity :	57.16 ± 0.4 cm3 (est)
Parachor :	434.4 ± 6.0 cm3 (est)
Index of Refraction :	1.617 ± 0.03 (est)
Surface Tension :	50.0 ± 5.0 dyne/cm (est)
Density :	1.26 ± 0.1 g/cm3 (est)
Polarizability :	22.66 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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Google Patents:	Search
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NCBI:	Search
JECFA Food Flavoring:	2091 2-methyl-3-furyl methylthiomethyl disulfide
FEMA Number:	4320 2-methyl-3-furyl methylthiomethyl disulfide
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	333384-99-9 ; 2-METHYL-3-FURYL METHYLTHIOMETHYL DISULFIDE

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	1.25800 to 1.26200 @ 25.00 °C.
Pounds per Gallon - (est).:	10.468 to 10.501
Refractive Index:	1.61400 to 1.61900 @ 20.00 °C.
Boiling Point:	234.00 to 235.00 °C. @ 760.00 mm Hg
Soluble in:
	water, 92.58 mg/L @ 25 °C (est)
Similar Items:note
allyl methyl disulfide
amyl methyl disulfide
benzyl methyl disulfide
diphenyl methyl disulfide
ethyl methyl disulfide
methyl phenyl methyl disulfide
2-methyl-3-furyl methyl disulfide
isopentyl methyl disulfide
phenyl methyl disulfide
1-propenyl methyl disulfide
propyl methyl disulfide

None found

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association


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

Category:
flavoring agents
Recommendation for 2-methyl-3-furyl methyl thiomethyl disulfide usage levels up to:
	not for fragrance use.

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: 23
Click here to view publication 23
		average usual ppm	average maximum ppm
baked goods:		0.00200	0.10000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		0.00200	0.10000
cheese:		0.00200	0.20000
chewing gum:		-	-
condiments / relishes:		0.00200	0.10000
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		0.00200	0.10000
fish products:		0.00200	0.10000
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		0.00200	0.10000
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		0.00200	0.10000
jams / jellies:		-	-
meat products:		0.00200	0.10000
milk products:		-	-
nut products:		0.00200	0.10000
other grains:		-	-
poultry:		0.00200	0.10000
processed fruits:		-	-
processed vegetables:		0.00200	0.10000
reconstituted vegetables:		0.00200	0.10000
seasonings / flavors:		0.00200	0.10000
snack foods:		0.00200	0.10000
soft candy:		-	-
soups:		0.00200	0.10000
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

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EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :71587703

National Institute of Allergy and Infectious Diseases:Data

2-methyl-3-(methylsulfanylmethyldisulfanyl)furan

Chemidplus:0333384999

	2-methyl-3-(methylsulfanylmethyldisulfanyl)furan
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	71587703
Pubchem (sid):	163642238

(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):	Search
FooDB:	FDB009833
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

None Found

None Found

not found in nature

	furan, 2-methyl-3-(((methylthio)methyl)dithio)-
2-	methyl-3-(((methylthio)methyl)dithio)furan
2-	methyl-3-(methylsulfanylmethyldisulfanyl)furan
2-	methyl-3-{[(methylsulfanyl)methyl]disulfanyl}furan
2-	methyl-3-furyl methylthiomethyl disulfide

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