1,1-propanedithioacetate

flavoring agents

2D:
3D:
CAS Number:	729602-98-6
FDA UNII:	ARG5RVD6RI
Category:	flavoring agents
IUPAC Name:	1,1-propanedithioacetate
InChI :	InChI=1/C7H12O2S2/c1-4-7(10-5(2)8)11-6(3)9/h7H,4H2,1-3H3
Std.InChI:	InChI=1S/C7H12O2S2/c1-4-7(10-5(2)8)11-6(3)9/h7H,4H2,1-3H3
InChIKey :	FPADBAJDNRGBBR-UHFFFAOYAI
Std.InChIKey:	FPADBAJDNRGBBR-UHFFFAOYSA-N
SMILES :	CCC(SC(=O)C)SC(=O)C
Molar Refractivity :	50.49 ± 0.3 cm3 (est)
Parachor :	419.4 ± 4.0 cm3 (est)
Index of Refraction :	1.517 ± 0.02 (est)
Surface Tension :	40.1 ± 3.0 dyne/cm (est)
Density :	1.154 ± 0.06 g/cm3 (est)
Polarizability :	20.01 ± 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:	4828 1,1-propanedithioacetate
FDA:	No longer provide for the use of these seven synthetic flavoring substances

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 1,1-propanedithioacetate 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: 28
Click here to view publication 28
		average usual ppm	average maximum ppm
baked goods:		0.10000	0.50000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		0.10000	0.20000
cheese:		0.10000	0.30000
chewing gum:		-	-
condiments / relishes:		0.20000	3.00000
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		0.30000	3.00000
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		0.50000	2.00000
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		0.20000	1.00000
reconstituted vegetables:		0.20000	1.00000
seasonings / flavors:		0.10000	2.00000
snack foods:		0.10000	2.00000
soft candy:		-	-
soups:		0.30000	1.00000
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :146035712

National Institute of Allergy and Infectious Diseases:Data

S-(1-acetylsulfanylpropyl) ethanethioate

Chemidplus:0729602986

	S-(1-acetylsulfanylpropyl) ethanethioate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	146035712
Pubchem (cas):	729602-98-6

(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

None Found

None Found

not found in nature

S-(1-	acetylsulfanylpropyl) ethanethioate
	ethanethioic acid S,S’-propylidene ester
1,1-	propane dithioacetate
	propane-1,1-dithioacetate
S,S’-	propane-1,1-diyl diethanethioate
1,1-	propanedithiol diacetate
1,1-	propanedithiol, diacetate

CONTENTS

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