diisoamyl trisulfide

flavoring agents

2D:
3D:
CAS Number:	955371-64-9
FDA UNII:	3U69NSA96G
Category:	flavoring agents
IUPAC Name:	diisoamyl trisulfide
InChI :	InChI=1/C10H22S3/c1-9(2)5-7-11-13-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3
Std.InChI:	InChI=1S/C10H22S3/c1-9(2)5-7-11-13-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey :	JTXFQKUKJPXFNH-UHFFFAOYAX
Std.InChIKey:	JTXFQKUKJPXFNH-UHFFFAOYSA-N
SMILES :	CC(C)CCSSSCCC(C)C
Molar Refractivity :	72.28 ± 0.3 cm3 (est)
Parachor :	576.7 ± 4.0 cm3 (est)
Index of Refraction :	1.523 ± 0.02 (est)
Surface Tension :	35.5 ± 3.0 dyne/cm (est)
Density :	1.009 ± 0.06 g/cm3 (est)
Polarizability :	28.65 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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NCBI:	Search
JECFA Food Flavoring:	1934 diisoamyl trisulfide
FEMA Number:	4580 diisoamyl trisulfide
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	955371-64-9 ; DIISOAMYL TRISULFIDE

Appearance:	colorless to yellow clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.98500 to 0.99100 @ 20.00 °C.
Pounds per Gallon - (est).:	8.206 to 8.256
Refractive Index:	1.51800 to 1.52400 @ 20.00 °C.
Boiling Point:	89.00 to 91.00 °C. @ 1.00 mm Hg
Soluble in:
	water, 0.4054 mg/L @ 25 °C (est)

None found

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
flavoring agents
Recommendation for diisoamyl 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
Click here to view publication 24
		average usual ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		0.01000	0.05000
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		0.01000	0.05000
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		0.00100	0.01000
soft candy:		-	-
soups:		0.01000	0.05000
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :15667721

National Institute of Allergy and Infectious Diseases:Data

3-methyl-1-(3-methylbutyltrisulfanyl)butane

Chemidplus:0955371649

	3-methyl-1-(3-methylbutyltrisulfanyl)butane
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	15667721
Pubchem (sid):	163643010

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	Search
FAO:	Diisoamyl trisulfide

None Found

None Found

not found in nature

bis(3-	methyl butyl) trisulfane
3-	methyl-1-(3-methylbutyltrisulfanyl)butane
bis(3-	methylbutyl)trisulfane
	trisulfide, bis(3-methylbutyl)

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