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    General Material Information
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nutty cyclohexenone

Chemical Structure

General Material Information

Preferred name nutty cyclohexenone
Trivial Name 3-Methyl-2-cyclohexen-1-one
Short Description 3-methyl-2-cyclohexen-1-one
Formula C7 H10 O
CAS Number 1193-18-6
FEMA Number 3360
Flavis Number 7.098
ECHA Number 214-769-7
FDA UNII 786Y352V9X
Nikkaji Number J109.957D
Beilstein Number 1560601
MDL MFCD00001581
COE Number 11134
xLogP3-AA 0.80 (est)
NMR Predictor External link
JECFA Food Flavoring 1107 3-methyl-2-cyclohexen-1-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1193-18-6 ; 3-METHYL-2-CYCLOHEXEN-1-ONE
Synonyms
  • cyclohex-2-en-1-one, 3-methyl-
  • 2-cyclohexen-1-one, 3-methyl-
  • 2-cyclohexene-1-one, 3-methyl-
  • 3-methyl cyclohex-2-en-1-one
  • 3-methyl-2-cyclohexen-1-one
  • 3-methyl-2-cyclohexenone
  • 3-methyl-D2-cyclohexenone
  • 3-methylcyclohex-2-en-1-one
  • seudenone
  • 3-methylcyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 3-methyl-
  • 3-Methyl-2-cyclohexen-1-one
  • 1-Methyl-1-cyclohexen-3-one
  • MCH
  • 3-Methyl-2-cyclohexene-1-one
  • NSC 43632
  • 3-Methyl-2-cyclohexenone
  • 3-Methyl-2-cyclohenen-1-one

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

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Literature & References

3-methylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1193-18-6
Pubchem (cid):14511
Pubchem (sid):134981140
Publications by PubMed
Copper-catalyzed asymmetric conjugate addition of alkylzirconium reagents to cyclic enones to form quaternary centers.
Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.
Predicting Dendroctonus pseudotsugae (Coleoptera: Curculionidae) antiaggregation pheromone concentrations using an instantaneous puff dispersion model.
High release rate 3-methylcyclohex-2-en-1-one dispensers prevent Douglas-fir beetle (Coleoptera: Curculionidae) infestation of live Douglas-fir.
3He NMR as a sensitive probe of fullerene reactivity: [2 + 2] photocycloaddition of 3-methyl-2-cyclohexenone to C70.
Palladium-catalyzed intramolecular oxidative alkylation of 4-pentenyl beta-dicarbonyl compounds.
Total synthesis of (+)-acanthodoral by the use of a Pd-catalyzed metal-ene reaction and a nonreductive 5-exo-acyl radical cyclization.
Particle growth by acid-catalyzed heterogeneous reactions of organic carbonyls on preexisting aerosols.
Plasma membrane and vesicular glutamate transporter mRNAs/proteins in hypothalamic neurons that regulate body weight.
MCH released in a novel pheromone dispenser prevents spruce beetle, Dendroctonus rufipennis (Coleoptera: Scolytidae), attacks in south-central Alaska.
Asymmetric total syntheses of (+)-cheimonophyllon e and (+)-cheimonophyllal.
Single cell responses of the Douglas-fir beetle,Dendroctonus pseudotsugae hopkins (Coleoptera: Scolytidae), to pheromones and host odors.
Sound production in scolytidae:chemostimulus of sonic signal by the douglas-fir beetle.

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31541
FooDB:FDB008151
Export Tariff Code:2914.29.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 110.15589904785
Specific gravity @ 25 °C
Pounds per Gallon 8.046 to 8.088
Refractive Index 1.49 to 1.498 @ 20 °C
Boiling Point 199 to 200°C @ 760 mm Hg
Boiling Point 78 to 79°C @ 12 mm Hg
Vapor Pressure 0.315 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 73.89 °C TCC
logP (o/w) 0.605 est
Solubility
alcohol Yes
water, 3502 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Nutty
nutty, caramellic, phenolic, cherry, sweet, walnut, fruity, almond, benzoin
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity > 24 hour(s) at 100.00 %
General comment At 1.00 % in dipropylene glycol. nut caramel phenolic cherry
Mosciano, Gerard P&F 23, No. 3, 55, (1998) At 2.00 %. Sweet, nutty, phenolic, walnut, fruity, almond and benzoin
Flavor Type: Nutty
nutty, musty, phenolic, woody, grain
Mosciano, Gerard P&F 23, No. 3, 55, (1998) At 50.00 ppm. Nutty, musty, phenolic and woody with grain-like nuances
Used in nut flavors. Nutty

Occurrences

Potential Uses

Applications
Odor purposes Coffee, Hazelnut
Flavoring purposes Bread, Caramel, Clam, Rice, Walnut

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable gloves and eye/face protection.
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-mouse LD50 1600 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 273, 1987.

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 nutty cyclohexenone usage levels up to:
0.5000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -0.15000
beverages(nonalcoholic): -0.02000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.05000
fruit ices: -0.05000
gelatins / puddings: -0.05000
granulated sugar: --
gravies: --
hard candy: -0.08000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.02000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
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):1193-18-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14511
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylcyclohex-2-en-1-one
Chemidplus:0001193186
RTECS:GW7340000 for cas# 1193-18-6