diisopropyl trisulfide 5943-34-0

diisopropyl trisulfide

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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

(EINECS) number :	227-703-7
cas number :	5943-34-0
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
formula :	C6 H14 S3

export tariff code :

unspecified

fda reg :

unspecified

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

logp :

4.69

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

204.00 °F. TCC ( 95.56 °C. )

recommendation for diisopropyl trisulfide 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).

publication number : 20.

3968

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 links :

(EINECS) number :

227-703-7

chemidplus :

005943340

EPA Substance Registry Services :

5943-34-0

NLM Chemical Carcinogenesis Research Information System :

5943-34-0

NLM Developmental and Reproductive Toxicity :

5943-34-0

NLM Env. Mutagen Info. Center :

5943-34-0

NLM GENetic TOXicology :

5943-34-0

EPI System :

view

other :

references :

jecfa number :

1300

fl. number :

12.280

pubchem :

657034

NIST Chemistry WebBook :

3964779579

synonyms :
	diisopropyl trisulfide
	diisopropyl trisulphide
2,6-	dimethyl-3,4,5-trithiaheptane
bis(1-	methyl ethyl) trisulfide
iso	propyl trisulfide
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	allyl mercaptan
	benzyl mercaptan
	ethyl 3-(furfuryl thio) propionate
	furfuryl methyl sulfide
4-(	methyl thio) butanol
bis(	methyl thio) methane
(odor and/or flavor) used in :
	garlic
	onion
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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