O-ethyl S-1-methoxyhexan-3-yl carbonothioate

General Material Information

Trivial Name	O-ethyl S-1-methoxyhexan-3-yl carbonothioate
Short Description	O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
Formula	C10 H20 O3 S
CAS Number	1241905-19-0
FEMA Number	4730
FDA UNII	Search
NMR Predictor	External link
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
Synonyms	carbonothioic acid S-[1-(2-methoxyethyl)butyl] O-ethyl ester ethyl 1-(2-methoxyethyl)butylsulfanylformate O- ethyl S-(1-methoxyhexan-3-yl) carbonothioate O- ethyl 1-(2-methoxyethyl)butylsulfanylformate

	O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cas):	1241905-19-0

Publications by US Patents
8,765,204 - Carbonothioates as flavours and fragrances

(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
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	220.33200073242
Boiling Point	280 to 281°C @ 760 mm Hg
Vapor Pressure	0.004 mmHg @ 25 °C
Flash Point TCC Value	117.8 °C TCC
logP (o/w)	2.69 est
Solubility
alcohol	Yes
water, 131 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Sulfurous
sulfurous, mushroom, herbal, chocolate, currant bud black currant bud
General comment	At 0.10 % in propylene glycol. sulfurous mushroom herbal chocolate black currant bud
Flavor Type: Sulfurous
sulfurous, currant bud black currant bud, tropical, coffee roasted coffee, coffee
General comment	Sulfury blackcurrant tropical roasted coffee

Applications	flavoring agents
Odor purposes	Coffee


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 O-ethyl S-1-methoxyhexan-3-yl carbonothioate 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: 26
Click here to view publication 26
		average usual ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		0.25000	0.50000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		0.40000	0.80000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		0.25000	1.00000
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		0.50000	1.00000
imitation dairy:		-	-
instant coffee / tea:		0.25000	5.00000
jams / jellies:		-	-
meat products:		-	-
milk products:		0.40000	0.80000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		2.00000	25.00000
snack foods:		-	-
soft candy:		0.50000	1.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		0.25000	0.50000

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

National Institute of Allergy and Infectious Diseases:Data

O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate