2-cyclohexenone

General Material Information

Preferred name	2-cyclohexenone
Trivial Name	2-Cyclohexen-1-one
Short Description	cyclohex-2-en-1-one
Formula	C6 H8 O
CAS Number	930-68-7
FEMA Number	4517
ECHA Number	213-223-5
FDA UNII	445160R1U6
Nikkaji Number	J55.441C
Beilstein Number	1280477
MDL	MFCD00001577
xLogP3-AA	0.60 (est)
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	2052 2-cyclohexenone
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	930-68-7 ; 2-CYCLOHEXENONE
Synonyms	cyclohex-2-en-1-one cyclohex-2-enone 2-cyclohexane-1-one 2-cyclohexen-1-one cyclohexen-2-one 1-cyclohexen-3-one 3-oxo cyclohexene 2-Cyclohexen-1-one 1-Cyclohexen-3-one 3-Oxocyclohexene NSC 59710 Cyclohexen-3-one Cyclohexenone

(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
CHEBI:	View
CHEMBL:	View
KEGG (GenomeNet):	C02395
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB029645
Export Tariff Code:	2914.29.5000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
FAO:	2-Cyclohexenone

Parchem	Penta International
Seqens	Sigma-Aldrich: Aldrich
TCI AMERICA	Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	96.128959655762
Specific gravity	@ 20 °C
Pounds per Gallon	8.231 to 8.314
Refractive Index	1.485 to 1.491 @ 20 °C
Boiling Point	100 to 101°C @ 1 mm Hg
Vapor Pressure	3.62 mmHg @ 25 °C
Vapor Density	3.3
Flash Point TCC Value	55.56 °C TCC
logP (o/w)	0.61
Solubility
alcohol	Yes
water, 3.615e+004 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Roasted
roasted, savory, green
General comment	At 1.00 % in dipropylene glycol. roasted savory green

Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 10 - Flammable. R 22 - Harmful if swallowed. R 23/24 - Toxic by inhalation and in contact with skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.

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:
oral-rat LD50 220 mg/kg American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972. intraperitoneal-mouse LD50 170 mg/kg Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975
Dermal Toxicity:
skin-rabbit LD50 70 mg/kg American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972.
Inhalation Toxicity:
inhalation-rat LC50 250 ppm/4H American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972.

Category:
flavoring agents
Recommendation for 2-cyclohexenone usage levels up to:
	not for fragrance use.

Structure Class:		II
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):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		5.00000	25.00000
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		1.00000	5.00000
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		10.00000	50.00000
snack foods:		1.00000	5.00000
soft candy:		-	-
soups:		1.00000	5.00000
sugar substitutes:		-	-
sweet sauces:		-	-