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4-isopropyl-2-cyclohexenone

Chemical Structure

General Material Information

Preferred name 4-isopropyl-2-cyclohexenone
Trivial Name (±)-Cryptone
Short Description 4-propan-2-ylcyclohex-2-en-1-one
Formula C9 H14 O
CAS Number 500-02-7
Deleted CAS Number 21293-23-2
FEMA Number 3939
Flavis Number 7.172
ECHA Number 207-898-5
FDA UNII 0U8E4W4GBB
Nikkaji Number J11.669F
COE Number 11127
xLogP3-AA 2.00 (est)
NMR Predictor External link
JECFA Food Flavoring 1110 4-isopropyl-2-cyclohexenone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 500-02-7 ; ISOPROPYL-2-CYCLOHEXENONE
Synonyms
  • cryptone
  • 2-cyclohexen-1-one, 4-(1-methylethyl)-
  • 2-cyclohexen-1-one, 4-isopropyl-
  • dextro,laevo- kryptone
  • DL- kryptone
  • 4-(1-methyl ethyl)-2-cyclohexen-1-one
  • 4-(1-methyl ethyl)-4-isopropyl cyclohex-2-enone-2-cyclohexenone
  • 4-(1-methylethyl)-2-cyclohexen-1-one
  • 4-(1-methylethyl)-4-isopropylcyclohex-2-enone-2-cyclohexenone
  • 4-( propan-2-yl)cyclohex-2-en-1-one
  • 4-propan-2-ylcyclohex-2-en-1-one
  • 4-iso propyl cyclohex-2-en-1-one
  • 4-iso- propyl-2-cyclohexenone
  • 4-iso propylcyclohex-2-en-1-one
  • 4-propan-2-ylcyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 4-(1-methylethyl)-
  • 2-Cyclohexen-1-one, 4-isopropyl-
  • 4-(1-Methylethyl)-2-cyclohexen-1-one
  • Crypton
  • 4-Isopropyl-2-cyclohexen-1-one
  • DL-Kryptone
  • (±)-Cryptone
  • NSC 22060

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):Search
FooDB:FDB014728
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

Suppliers

Parchem

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 138.20977783203
Specific gravity @ 25 °C
Pounds per Gallon 7.739 to 7.905
Refractive Index 1.481 to 1.49 @ 20 °C
Vapor Pressure 0.213 mmHg @ 25 °C
Flash Point TCC Value 87.22 °C TCC
logP (o/w) 1.589 est
Solubility
alcohol Yes
water, 593.4 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Spicy
spicy, cumin, caraway, woody, herbal
General comment At 100.00 %. spice cumin caraway woody herbal

Occurrences

Potential Uses

Applications
Odor purposes Costus, Herbal, Lavender, Mint, Pepper, Spice, Woody

Safety Information

Safety information

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

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 4-isopropyl-2-cyclohexenone usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.001 (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: 19
Click here to view publication 19
average usual ppmaverage maximum ppm
baked goods: 0.150000.30000
beverages(nonalcoholic): 0.050000.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.050000.10000
fruit ices: --
gelatins / puddings: 0.050000.10000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.100000.20000
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):500-02-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :92780
National Institute of Allergy and Infectious Diseases:Data
4-propan-2-ylcyclohex-2-en-1-one
Chemidplus:0000500027