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CAS Number: 930-68-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-223-5
FDA UNII:445160R1U6
Nikkaji Web:J55.441C
Beilstein Number:1280477
XlogP3-AA:0.60 (est)
Molecular Weight:96.12896000
Formula:C6 H8 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
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
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
Physical Properties:
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:
 water, 3.615e+004 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Type: roasted
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
roasted savory green
Odor Description:at 1.00 % in dipropylene glycol. roasted savory green
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Penta International
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Cyclohexen-1-one ≥95%
For experimental / research use only.
2-Cyclohexen-1-one >96.0%(GC)
Safety Information:
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
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.

Safety in Use Information:
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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 5.0000025.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000005.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 10.0000050.00000
snack foods: 1.000005.00000
soft candy: --
soups: 1.000005.00000
sugar substitutes: --
sweet sauces: --
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):930-68-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13594
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13594
Pubchem (sid):134981100
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
KEGG (GenomeNet):C02395
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.29.5000
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
For Odor
For Flavor
garlic oleoresin
pyrazinyl ethane thiol
Potential Uses:
None Found
Occurrence (nature, food, other):note
 found in nature
Flavouring compound [Flavornet]
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