S-furfuryl thioformate 59020-90-5

S-furfuryl thioformate

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IUPAC name :

S-(furan-2-ylmethyl) methanethioate

InChI :

InChI=1/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2

InChIKey :

GFAOAYJTEVHTLA-UHFFFAOYAS

SMILES :

C1=COC(=C1)CSC=O

cas number :	59020-90-5
fema number :	3158
coe number :	11770
jecfa number :	1073
fl. number :	13.051
molar refractivity :	36.28 ± 0.3 cm3
parachor :	297.3 ± 4.0 cm3
index of refraction :	1.536 ± 0.02
surface tension :	42.7 ± 3.0 dyne/cm
density :	1.222 ± 0.06 g/cm3
polarizability :	14.38 ± 0.5 10-24cm3
xlogp :	1.00
molecular weight :	142.1756400
formula :	C6 H6 O2 S

fda reg :

unspecified

h. number :

2915.13.0000

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

properties :

appearence :

colorless to yellow brown clear liquid

assay :

97.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.21300 - 1.22300 @ 20.00 °C.

pounds per gallon - calc. :

10.105 to 10.188

refractive index :

1.53900 - 1.54900 @ 20.00 °C.

boiling point :

66.00 °C. @ 15.00 mm Hg

boiling point :

80.00 - 87.00 °C. @ 10.00 mm Hg

logp :

1.55

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

> 230.00 °F. TCC ( > 110.00 °C. )

recommendation for S-furfuryl thioformate usage levels up to :

0.0200 % in the fragrance concentrate.

safety links :

chemidplus :

059020905

epa-srs :

59020-90-5

other :

references :

jecfa number :

1073

fl. number :

13.051

pubchem :

198656

synonyms :
2-	furan methane thiol formate
3-(2-	furanyl methyl) methane thioate
S-(2-	furanyl methyl) methane thioate
S-	furfuryl thioformate
	furfuryl thiol formate
2-	furyl methyl sulfanyl formaldehyde
	methane thioic acid 3-(2-furanyl methyl) ester
	methane thioic acid S-(2-furanyl methyl) 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
4,5-	dimethyl-2-ethyl-3-thiazoline
2,5-	dimethyl-3-thiofuroyl furan
	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
	furfuryl thiopropionate
1-	hydroxy-2-butanone
	menthofuran
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-3-,5 or 6-(furfuryl thio) pyrazine
2-	methyl-5-isopropyl pyrazine
2,3,5,6-	tetramethyl pyrazine
2-	thienyl mercaptan
2-	thiophene thiol
2,4,5-	trimethyl thiazole
2,6-	xylenol
(odor and/or flavor) used in :
	coffee
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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