2,5-dimethyl-3-thiofuroyl furan 65505-16-0

2,5-dimethyl-3-thiofuroyl furan

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IUPAC name :

3-(2-furoylthio)-2,5-dimethylfuran

InChI :

InChI=1/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3

InChIKey :

IHJDHYVSIRCWIT-UHFFFAOYAS

(EINECS) number :	265-796-6
cas number :	65505-16-0
fema number :	3481
coe number :	2323
jecfa number :	1071
fl. number :	13.040
molar refractivity :	58.43 ± 0.4 cm3
parachor :	462.0 ± 6.0 cm3
index of refraction :	1.584 ± 0.03
surface tension :	49.2 ± 5.0 dyne/cm
density :	1.27 ± 0.1 g/cm3
polarizability :	23.16 ± 0.5 10-24cm3
xlogp :	1.60
molecular weight :	222.2603000
formula :	C11 H10 O3 S

fda reg :

unspecified

h. number :

2932.19.0000

organoleptics :

odor type :

coffee

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

coffee roasted meaty

properties :

appearence :

yellow clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.04700 - 1.05800 @ 25.00 °C.

pounds per gallon - calc. :

8.712 to 8.804

refractive index :

1.51200 - 1.51900 @ 20.00 °C.

boiling point :

79.00 - 83.00 °C. @ 0.70 mm Hg

logp :

3.23

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

262.00 °F. TCC ( 127.78 °C. )

recommendation for 2,5-dimethyl-3-thiofuroyl furan usage levels up to :

0.0500 % in the fragrance concentrate.

safety links :

(EINECS) number :

265-796-6

chemidplus :

065505160

epa-srs :

65505-16-0

other :

references :

jecfa number :

1071

fl. number :

13.040

pubchem :

3750002

synonyms :
S-2,5-	dimethyl-3-furyl thio-2-furoate
S-(2,5-	dimethyl-3-furyl) thio-3-furoate
2,5-	dimethyl-3-thiofuroyl furan
3-	furan carbothioic acid S-(2,5-dimethyl-3-furanyl) ester
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
2-	acetyl furan
2-	acetyl pyrazine
	benzothiazole
	benzyl mercaptan
	butyl mercaptan
	caramel furanone
	cocoa pyrazine
	coffee difuran
	coffee dione
	coffee pyrazine
	dicyclohexyl disulfide
	difurfuryl ether
	difurfuryl sulfide
	diisoamyl thiomalate
2,3-	dimethyl pyrazine
2,6-	dimethyl pyrazine
2,4-	dimethyl thiazole
2,6-	dimethyl thiophenol
4,5-	dimethyl-2-ethyl-3-thiazoline
3,7-	dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
1,1-	ethane dithiol 1% in ethanol
	ethyl 3-(furfuryl thio) propionate
	ethyl methyl sulfide
S-	ethyl thioacetate
2-	ethyl-3,5(6)-dimethyl pyrazine mixture
	filbert heptenone
	furfuryl alcohol
	furfuryl isopropyl sulfide
	furfuryl mercaptan
	furfuryl methyl ether
	furfuryl propionate
1-	furfuryl pyrrole
	furfuryl thioacetate
S-	furfuryl thioformate
	furfuryl thiopropionate
1-	hydroxy-2-butanone
	menthofuran
2-	mercapto-3-pentanone
2-	methyl 3-(methyl thio) furan 10% in triacetin
2-	methyl 5-(methyl thio) furan
2-	methyl butyraldehyde
	methyl cyclopentenolone
	methyl furfuryl disulfide
2-	methyl quinoxaline
5-	methyl quinoxaline
2-	methyl thio-3,5 or 6-methyl pyrazine
2-	methyl-1-methyl thio-2-butene
2-	methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-	methyl-3-(methyl thio) pyrazine
bis(2-	methyl-3-furyl) disulfide
S-(2-	methyl-3-furyl) ethane thioate
3-((2-	methyl-3-furyl)thio)-4-heptanone
2-	methyl-5-isopropyl pyrazine
	nutty thiazole
	propyl 2-mercaptopropionate
2-	pyridinyl methane thiol
	roasted butanol
2,3,5,6-	tetramethyl pyrazine
	thialdine
2-	thienyl mercaptan
2-	thiophene thiol
2,4,5-	trimethyl thiazole
2,6-	xylenol
(odor and/or flavor) used in :
	coffee
	meat
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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