furfuryl isopropyl sulfide 1883-78-9

furfuryl isopropyl sulfide

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IUPAC name :

2-(propan-2-ylsulfanylmethyl)furan

InChI :

InChI=1/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3

InChIKey :

WCHRNAKORAINOJ-UHFFFAOYAP

SMILES :

CC(C)SCC1=CC=CO1

cas number :	1883-78-9
fema number :	3161
coe number :	2248
jecfa number :	1077
fl. number :	13.032
molar refractivity :	45.32 ± 0.3 cm3
parachor :	365.4 ± 4.0 cm3
index of refraction :	1.506 ± 0.02
surface tension :	33.0 ± 3.0 dyne/cm
density :	1.025 ± 0.06 g/cm3
polarizability :	17.96 ± 0.5 10-24cm3
xlogp :	2.10
molecular weight :	156.2452800
formula :	C8 H12 O S

fda reg :

unspecified

h. number :

2932.10

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 savory meaty

properties :

appearence :

amber brown clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.01000 - 1.02000 @ 25.00 °C.

pounds per gallon - calc. :

8.404 to 8.487

refractive index :

1.50100 - 1.50800 @ 20.00 °C.

boiling point :

79.00 - 80.00 °C. @ 12.00 mm Hg

boiling point :

84.00 °C. @ 16.00 mm Hg

logp :

2.60

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

168.00 °F. TCC ( 75.56 °C. )

recommendation for furfuryl isopropyl sulfide usage levels up to :

0.0500 % in the fragrance concentrate.

recommendation for furfuryl isopropyl sulfide usage levels up to :

0.5000 ppm in the flavor.

safety links :

chemidplus :

001883789

epa-srs :

1883-78-9

other :

references :

jecfa number :

1077

fl. number :

13.032

pubchem :

197547

NIST Chemistry WebBook :

2380787896

synonyms :
	furfuryl isopropyl sulfide
iso	propyl furfuryl sulfide
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
2-	acetyl furan
2-	acetyl pyrazine
4-	aminobutyric acid
	benzothiazole
	benzyl mercaptan
	butyl mercaptan
	caramel furanone
	cocoa pyrazine
	coffee difuran
	coffee dione
	coffee pyrazine
	dicyclohexyl disulfide
	difurfuryl ether
	difurfuryl sulfide
	diisoamyl thiomalate
N-(2-(3,4-	dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,3-	dimethyl pyrazine
2,6-	dimethyl pyrazine
2,4-	dimethyl thiazole
	dimethyl trisulfide
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
S-	furfuryl thioformate
	furfuryl thiopropionate
1-	hydroxy-2-butanone
	menthofuran
N1-(2-	methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
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
1,9-	nonane dithiol
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

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