diisopropyl trisulfide 5943-34-0

diisopropyl trisulfide

Suppliers organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

2-propan-2-ylsulfanyldisulfanylpropane

InChI :

InChI=1/C6H14S3/c1-5(2)7-9-8-6(3)4/h5-6H,1-4H3

InChIKey :

WUZSBMCRYUJOEU-UHFFFAOYAR

SMILES :

CC(C)SSSC(C)C

cas number :	5943-34-0
(EINECS) number :	227-703-7
fema number :	3968
jecfa number :	1300
fl. number :	12.280
molar refractivity :	53.75 ± 0.3 cm3
parachor :	417.6 ± 4.0 cm3
index of refraction :	1.544 ± 0.02
surface tension :	36.2 ± 3.0 dyne/cm
density :	1.071 ± 0.06 g/cm3
polarizability :	21.30 ± 0.5 10-24cm3
XlogP :	3.10
molecular weight :	182.3703600 (IUPAC)
formula :	C6 H14 S3
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

diisopropyl trisulfide

organoleptics :

odor type :

sulfurous

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description:
at 0.10 % in propylene glycol.

sulfury garlic

properties :

appearence :

colorless to pale yellow clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.13400 to 1.14000 @ 25.00 °C.

pounds per gallon - calc. :

9.436 to 9.486

refractive index :

1.44100 to 1.44500 @ 20.00 °C.

boiling point :

107.00 to 108.00 °C. @ 10.00 mm Hg

boiling point :

243.00 to 244.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

vapor pressure :

0.04900 mm/Hg @ 25.00 °C.

flash point :

204.00 °F. TCC ( 95.56 °C. )

logP (o/w) :

4.69

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.24 (μg/capita/day)

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

0.007 (μg/capita/day)

Structure Class :

recommendation for diisopropyl trisulfide fragrance 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 on the "LIBRARY" link.

publication number : 20

average usual ppm

average maximum ppm

baked goods :

5.00000

15.00000

beverages(nonalcoholic) :

0.50000

4.00000

beverages(alcoholic) :

1.00000

8.00000

breakfast cereal :

cheese :

chewing gum :

5.00000

15.00000

condiments / relishes :

confectionery froastings :

1.00000

5.00000

egg products :

1.00000

5.00000

fats / oils :

1.00000

5.00000

fish products :

frozen dairy :

1.40000

6.00000

fruit ices :

0.80000

4.00000

gelatins / puddings :

0.80000

4.00000

granulated sugar :

gravies :

1.00000

6.00000

hard candy :

1.40000

6.00000

imitation dairy :

instant coffee / tea :

0.50000

3.00000

jams / jellies :

1.40000

6.00000

meat products :

1.20000

5.00000

milk products :

0.80000

4.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

1.40000

6.00000

snack foods :

1.40000

6.00000

soft candy :

1.40000

6.00000

soups :

0.50000

3.00000

sugar substitutes :

sweet sauces :

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

2-propan-2-ylsulfanyldisulfanylpropane

(EINECS) number :

227-703-7

chemidplus :

005943340

EPA Substance Registry Services :

5943-34-0

references :

2-propan-2-ylsulfanyldisulfanylpropane

fl. number :

12.280

jecfa number :

1300

NIST Chemistry WebBook :

3964779579

pubchem :

657034

other :

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
	diisopropyl trisulphide
2,6-	dimethyl-3,4,5-trithiaheptane
bis(1-	methyl ethyl) trisulfide
2-	propan-2-ylsulfanyldisulfanylpropane
iso	propyl trisulfide
soluble in :
	alcohol
insoluble in :
	water
potential blenders :
	allyl mercaptan	FL
	benzyl mercaptan	FL
	ethyl 3-(furfuryl thio) propionate	FL
	furfuryl methyl sulfide	FL
4-(	methyl thio) butanol	FL
bis(	methyl thio) methane	FL
potential uses :
	garlic
	onion
natural occurrence in :
	not found in nature

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