4-octen-3-one

General Material Information

Preferred name	4-octen-3-one
Trivial Name	4-Octen-3-one
Short Description	oct-4-en-3-one
Formula	C8 H14 O
CAS Number	14129-48-7
FEMA Number	4328
FDA UNII	5Q55OU7FEN
xLogP3-AA	2.20 (est)
NMR Predictor	External link
JECFA Food Flavoring	1843 (E,Z)-4-octen-3-one
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	14129-48-7 ; 4-OCTEN-3-ONE
Synonyms	oct-4-en-3-one (E,Z)-4-octen-3-one

(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):	HMDB32451
FooDB:	FDB009961
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Axsyn	BOC Sciences
Parchem

Material listed in food chemical codex	No
Molecular weight	126.19877624512
Specific gravity	@ 25 °C
Pounds per Gallon	6.99 to 7.023
Refractive Index	1.442 to 1.448 @ 20 °C
Boiling Point	180 to 181°C @ 760 mm Hg
Boiling Point	77 to 79°C @ 20 mm Hg
Vapor Pressure	0.897 mmHg @ 25 °C
Flash Point TCC Value	66.67 °C TCC
logP (o/w)	2.179 est
Solubility
alcohol	Yes
water, 1045 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Coconut
coconut, fruity
General comment	At 1.00 % in dipropylene glycol. coconut fruity

Applications	flavoring agents
Odor purposes	Coconut tropical coconut, Deertongue absolute replacer, Flouve, Flouve blossom, Green grass, Hay new mown hay, Immortelle, Tobacco, Tobacco, Tobacco flower, Tonka bean
Flavoring purposes	Coconut, Fig, Immortelle, Pina colada
Other purposes	Leaf autumn leaf, Straw, Wet fields


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 4-octen-3-one 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: 23
Click here to view publication 23
		average usual ppm	average maximum ppm
baked goods:		1.00000	5.00000
beverages(nonalcoholic):		1.00000	5.00000
beverages(alcoholic):		2.00000	10.00000
breakfast cereal:		1.00000	5.00000
cheese:		-	-
chewing gum:		2.00000	20.00000
condiments / relishes:		1.00000	5.00000
confectionery froastings:		1.00000	5.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		1.00000	5.00000
fruit ices:		1.00000	5.00000
gelatins / puddings:		1.00000	5.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		2.00000	10.00000
imitation dairy:		-	-
instant coffee / tea:		2.00000	20.00000
jams / jellies:		1.00000	5.00000
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		1.00000	5.00000
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		100.00000	1000.00000
snack foods:		1.00000	5.00000
soft candy:		1.00000	5.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		1.00000	5.00000

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):14129-48-7

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :84216

National Institute of Allergy and Infectious Diseases:Data

oct-4-en-3-one

Chemidplus:0014129487