2-cyclohexenone

flavoring agents

2D:
3D:
CAS Number:	930-68-7
ECHA EC Number:	213-223-5
FDA UNII:	445160R1U6
Category:	flavoring agents
IUPAC Name:	2-cyclohexenone
InChI :	InChI=1/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
Std.InChI:	InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey :	FWFSEYBSWVRWGL-UHFFFAOYAT
Std.InChIKey:	FWFSEYBSWVRWGL-UHFFFAOYSA-N
SMILES :	C1CC=CC(=O)C1
MDL:	MFCD00001577
Molar Refractivity :	27.40 ± 0.3 cm3 (est)
Parachor :	233.4 ± 6.0 cm3 (est)
Index of Refraction :	1.481 ± 0.02 (est)
Surface Tension :	24.6 ± 3.0 dyne/cm (est)
Density :	0.998 ± 0.06 g/cm3 (est)
Polarizability :	10.86 ± 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
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	2052 2-cyclohexenone
FEMA Number:	4517 2-cyclohexenone
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	930-68-7 ; 2-CYCLOHEXENONE

Appearance:	pale yellow to yellow clear liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.98800 to 0.99800 @ 20.00 °C.
Pounds per Gallon - (est).:	8.231 to 8.314
Refractive Index:	1.48500 to 1.49100 @ 20.00 °C.
Melting Point:	-53.00 °C. @ 760.00 mm Hg
Boiling Point:	170.00 °C. @ 760.00 mm Hg
Boiling Point:	100.00 to 101.00 °C. @ 1.00 mm Hg
Vapor Pressure:	3.620000 mmHg @ 25.00 °C.
Vapor Density:	3.3 ( Air = 1 )
Flash Point:	132.00 °F. TCC ( 55.56 °C. )
logP (o/w):	0.610
Soluble in:
	alcohol
	water, 3.615e+004 mg/L @ 25 °C (est)
Insoluble in:
	water

roasted savory green

None found

For experimental / research use only.

For experimental / research use only.

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:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):930-68-7

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :13594

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 2929

cyclohex-2-en-1-one

Chemidplus:0000930687

(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