bis-(3-methyl-2-butenyl)disulfide

flavoring agents

2D:
3D:
CAS Number:	24963-39-1
FDA UNII:	PO7O52628V
Category:	flavoring agents
IUPAC Name:	bis-(3-methyl-2-butenyl)disulfide
InChI :	InChI=1/C10H18S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-6H,7-8H2,1-4H3
Std.InChI:	InChI=1S/C10H18S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-6H,7-8H2,1-4H3
InChIKey :	GJSZWEINRPTYBA-UHFFFAOYAY
Std.InChIKey:	GJSZWEINRPTYBA-UHFFFAOYSA-N
SMILES :	CC(=CCSSCC=C(C)C)C
Molar Refractivity :	64.17 ± 0.3 cm3 (est)
Parachor :	498.1 ± 4.0 cm3 (est)
Index of Refraction :	1.528 ± 0.02 (est)
Surface Tension :	32.6 ± 3.0 dyne/cm (est)
Density :	0.971 ± 0.06 g/cm3 (est)
Polarizability :	25.44 ± 0.5 10-24cm3 (est)

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

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
FEMA Number:	4914 bis-(3-methyl-2-butenyl)disulfide
FDA:	No longer provide for the use of these seven synthetic flavoring substances

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Soluble in:
	water, 0.8813 mg/L @ 25 °C (est)

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


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

Safety in Use Information:

Category:
flavoring agents
Recommendation for bis-(3-methyl-2-butenyl)disulfide 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: 29
Click here to view publication 29
		average usual ppm	average maximum ppm
baked goods:		0.10000	1.00000
beverages(nonalcoholic):		0.00500	0.05000
beverages(alcoholic):		0.00500	0.05000
breakfast cereal:		0.10000	1.00000
cheese:		0.10000	1.00000
chewing gum:		0.10000	1.00000
condiments / relishes:		0.10000	1.00000
confectionery froastings:		0.10000	1.00000
egg products:		0.10000	1.00000
fats / oils:		0.10000	1.00000
fish products:		0.10000	1.00000
frozen dairy:		0.10000	1.00000
fruit ices:		0.10000	1.00000
gelatins / puddings:		0.10000	1.00000
granulated sugar:		0.10000	1.00000
gravies:		0.10000	1.00000
hard candy:		0.10000	1.00000
imitation dairy:		0.10000	1.00000
instant coffee / tea:		0.10000	1.00000
jams / jellies:		0.10000	1.00000
meat products:		0.10000	1.00000
milk products:		0.10000	1.00000
nut products:		0.10000	1.00000
other grains:		0.10000	1.00000
poultry:		0.10000	1.00000
processed fruits:		0.10000	1.00000
processed vegetables:		0.10000	1.00000
reconstituted vegetables:		0.10000	1.00000
seasonings / flavors:		0.10000	1.00000
snack foods:		0.10000	1.00000
soft candy:		0.10000	1.00000
soups:		0.10000	1.00000
sugar substitutes:		0.10000	1.00000
sweet sauces:		0.10000	1.00000

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :12030785

National Institute of Allergy and Infectious Diseases:Data

3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene

Chemidplus:0024963391

References:

	3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	12030785
Pubchem (cas):	24963-39-1

Other Information:

(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
HMDB (The Human Metabolome Database):	Search

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

3-	methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene
3-	methyl-2-butenyl disulfide
bis-(3-	methyl-2-butenyl) disulfide

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles