propyl 2-methyl-3-furyl disulfide 61197-09-9

propyl 2-methyl-3-furyl disulfide

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IUPAC name :

2-methyl-3-propyldisulfanylfuran

InChI :

InChI=1/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3

InChIKey :

YFPPCUTVJGGSQC-UHFFFAOYAT

SMILES :

CCCSSC1=C(OC=C1)C

cas number :	61197-09-9
(EINECS) number :	262-650-3
fema number :	3607
jecfa number :	1065
fl. number :	13.082
molar refractivity :	53.77 ± 0.4 cm3
parachor :	422.1 ± 6.0 cm3
index of refraction :	1.562 ± 0.03
surface tension :	42.1 ± 5.0 dyne/cm
density :	1.13 ± 0.1 g/cm3
polarizability :	21.31 ± 0.5 10-24cm3
XlogP :	2.60
molecular weight :	188.3102800
formula :	C8 H12 O S2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

propyl-2-methyl-3-furyl disulfide

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

meaty

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.09400 to 1.10400 @ 25.00 °C.

pounds per gallon - calc. :

9.103 to 9.186

refractive index :

1.53400 to 1.53900 @ 20.00 °C.

boiling point :

76.00 to 79.00 °C. @ 1.40 mm Hg

flash point :

201.00 °F. TCC ( 93.89 °C. )

logP (o/w) :

4.33

safety :

Oral Toxicity(LD50) :

Gavage-Mouse [sex: M,F] 284.00 mg/kg
(Moran et al., 1980)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

ND (μg/capita/day)

recommendation for propyl 2-methyl-3-furyl disulfide usage levels up to :

not for fragrance use.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Canada Domestic Sub. List :

Yes

2-methyl-3-propyldisulfanylfuran

(EINECS) number :

262-650-3

chemidplus :

061197099

EPA Substance Registry Services :

61197-09-9

references :

2-methyl-3-propyldisulfanylfuran

fl. number :

13.082

jecfa number :

1065

pubchem :

183952

other :

synonyms :
2-	methyl-3-(propyl dithio) furan
2-	methyl-3-furyl propyl disulfide
2-	methyl-3-propyl disulfanyl furan
2-	methyl-3-propyldisulfanylfuran
	propyl-2-methyl-3-furyl disulfide
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
4-	acetyl-2-methyl pyrimidine
4-	allyl-2,6-dimethoxyphenol
4-	aminobutyric acid
	amyl mercaptan
	bacon dithiazine
1,3-	butane dithiol
2,3-	butane dithiol
2-(2-	butyl)-4,5-dimethyl-3-thiazoline
	butyraldehyde
	coffee difuran
	cyclopropyl (E,Z)-2,6-nonadienamide
2,5-	diethyl thiazole
3,5-	diethyl-2-methyl pyrazine
2,5-	diethyl-3-methyl pyrazine
	difurfuryl sulfide
2,5-	dihydroxy-1,4-dithiane
N-(2,4-	dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-	dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-	dimethyl furan
	dimethyl tetrasulfide
2,6-	dimethyl thiophenol
	dimethyl trisulfide
4,5-	dimethyl-2-ethyl-3-thiazoline
3,7-	dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-	dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-	dimethyl-3-furan thiol
bis(2,5-	dimethyl-3-furyl) disulfide
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
	ethyl (E,Z)-2,6-nonadienamide
S-	ethyl 2-acetyl aminoethane thioate
	ethyl 3-mercaptopropionate
	ethyl 4-(acetyl thio) butyrate
S-	ethyl thioacetate
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	furfuryl isopropyl sulfide
4-	furfuryl thio-2-pentanone
	hazelnut pyrazine
N-(	heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-	hexane dithiol
	hexyl mercaptan
	meaty dithiane
4-	mercapto-2-pentanone 1% in acetoin
2-	mercapto-3-pentanone
2-	mercaptomethyl pyrazine
2-	mercaptopropionic acid
N1-(2-	methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-	methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
	methyl 2-methyl-3-furyl disulfide
2-	methyl 3-(methyl thio) furan 10% in triacetin
4-	methyl 4-mercaptopentan-2-one 1% in pg
	methyl dihydrofuran thiol
4-	methyl nonanoic acid
2-	methyl pyrazine
2-	methyl thiazolidine
2-(	methyl thio) ethanol
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
3-	methyl-2-butane thiol
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3-furyl tetrasulfide
bis(2-	methyl-3-furyl) disulfide
S-(2-	methyl-3-furyl) ethane thioate
3-((2-	methyl-3-furyl)thio)-4-heptanone
4-((2-	methyl-3-furyl)thio)-5-nonanone
2-	methyl-3-tetrahydrofuran thiol
2-	naphthyl mercaptan
1,9-	nonane dithiol
	nutty thiazole
1,8-	octane dithiol
	peanut dithiazine
1-	phenethyl mercaptan
1,3-	propane dithiol
2-	propionyl-2-thiazoline
	propyl 2-mercaptopropionate
iso	propyl disulfide
iso	propyl mercaptan
	pyrazinyl ethane thiol
2-	pyridinyl methane thiol
	pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
	roasted butanol
	rum ether
	sulfuryl acetate
3-	tetrahydrothiophenone
	thialdine
3-	thienyl mercaptan
1-(2-	thienyl) butanone
ortho-	thiocresol
	thioguaiacol
	tyramine
(odor and/or flavor) used in :
	meat
natural occurrence in :
	not found in nature

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