methyl 3-acetoxyoctanoate

General Material Information

Preferred name	methyl 3-acetoxyoctanoate
Trivial Name	Methyl 3-(acetyloxy)octanoate
Short Description	methyl 3-acetyloxyoctanoate
Formula	C11 H20 O4
CAS Number	35234-21-0
FEMA Number	4454
ECHA Number	252-452-5
FDA UNII	16KH805BNJ
Nikkaji Number	J289.943D
xLogP3-AA	2.30 (est)
NMR Predictor	External link
JECFA Food Flavoring	1956 methyl 3-acetoxyoctanoate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	35234-21-0 ; METHYL 3-ACETOXYOCTANOATE
Synonyms	3-( acetyl oxy) octanoic acid methyl ester 3-( acetyloxy)octanoic acid methyl ester methyl 3-(acetoxy) octanoate methyl 3-(acetoxy)octanoate methyl 3-acetyloxyoctanoate octanoic acid, 3-(acetyloxy)-, methyl ester Methyl 3-(acetyloxy)octanoate

(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
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	Methyl 3-acetoxyoctanoate

Material listed in food chemical codex	No
Molecular weight	216.2772064209
Specific gravity	@ 20 °C
Pounds per Gallon	7.781 to 8.281
Refractive Index	1.413 to 1.433 @ 20 °C
Boiling Point	217 to 219°C @ 760 mm Hg
Vapor Pressure	0.111 mmHg @ 25 °C
Flash Point TCC Value	92.22 °C TCC
logP (o/w)	2.585 est
Solubility
alcohol	Yes
water	Yes
water, 150.2 mg/L @ 25 °C (est)	Yes


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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for methyl 3-acetoxyoctanoate usage levels up to:
	2.0000 % in the fragrance concentrate.

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):		1.00000	5.00000
beverages(alcoholic):		0.50000	2.50000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		1.00000	5.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		5.00000	25.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		2.00000	10.00000
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :529300

National Institute of Allergy and Infectious Diseases:Data

methyl 3-acetyloxyoctanoate

Chemidplus:0035234210