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celery ketone

Chemical Structure

General Material Information

Preferred name celery ketone
Trivial Name Celery ketone
Short Description 3-methyl-5-propyl-2-cyclohexen-1-one
Formula C10 H16 O
CAS Number 3720-16-9
FEMA Number 3577
Flavis Number 7.129
ECHA Number 223-069-0
FDA UNII 6P422HTI94
Nikkaji Number J205.632A
MDL MFCD00482082
xLogP3-AA 2.30 (est)
NMR Predictor External link
JECFA Food Flavoring 1113 3-methyl-5-propyl-2-cyclohexen-1-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3720-16-9 ; 3-METHYL-5-PROPYL-2-CYCLOHEXEN-1-ONE
Synonyms
  • celerone (Tadimety)
  • celeryketone
  • 2-cyclohexen-1-one, 3-methyl-5-propyl-
  • gravenone
  • livescone
  • 1-methyl-5-n-propyl-1-cyclohexen-3-one
  • 3-methyl-5-propyl cyclohex-2-en-1-one
  • 3-methyl-5-propyl cyclohex-2-enone
  • 3-methyl-5-propyl-2-cyclohexen-1-one
  • 3-methyl-5-propyl-2-cyclohexenone
  • 3-methyl-5-propylcyclohex-2-en-1-one
  • 3-methyl-5-propylcyclohex-2-enone
  • 3-methyl-5-propylcyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 3-methyl-5-propyl-
  • 3-Methyl-5-propyl-2-cyclohexen-1-one
  • 3-Methyl-5-propyl-2-cyclohexene-1-one
  • 3-Methyl-5-propyl-2-cyclohexenone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(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):HMDB31854
FooDB:FDB008538
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.23672485352
Specific gravity @ 25 °C
Pounds per Gallon 7.689 to 7.722
Refractive Index 1.481 to 1.486 @ 20 °C
Boiling Point 242 to 244°C @ 760 mm Hg
Boiling Point 122 to 123°C @ 12 mm Hg
Vapor Pressure 0.063 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 2.16 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 2730 mg/L @ 20 °C (exp) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - good Unspecified
APC (pH = 10) - good Unspecified
candles - good Unspecified
damp fabric - moderate Unspecified
dry fabric - poor Unspecified
liquid bleach - poor Unspecified
pH = 2 - good Unspecified
powder detergent - good Unspecified
powder detergent + activator - good Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Herbal
fresh, celery, green, cumin
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 48 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 10.00 % in dipropylene glycol. fresh celery green cumin
Flavor Type: Green
green, herbal, celery, spicy, grassy
Luebke, William tgsc, (1986) Green herbal celery spicy grassy
Adds a green, herbaceous, celery flavor. Blends well with basil and tarragon. Green

Potential Uses

Applications
Odor purposes Amber, Carnation, Celery, Chypre, Green, Jasmin, Lovage root, Oriental, Spice, Tobacco, Woody
Flavoring purposes Lovage root
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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 2700 mg/kg

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

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 celery ketone usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.097 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.10 (μg/capita/day)
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: 11
Click here to view publication 11
average usual ppmaverage maximum ppm
baked goods: -14.70000
beverages(nonalcoholic): -5.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -6.50000
fruit ices: --
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -9.30000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -10.50000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3720-16-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3782139
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methyl-5-propylcyclohex-2-en-1-one
Chemidplus:0003720169