isopulegone
p-menth-8-en-3-one
 
Notes:
None found
  • CSA
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      09-61050 isoPULEGONE, Kosher
      09-61055 isoPULEGONE, NATURAL
       
Synonyms   Articles   Notes   Search
5-methyl-2-prop-1-en-2-ylcyclohexan-1-one (Click)
CAS Number: 29606-79-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 249-725-6
Nikkaji Web: J2.365.190D
CoE Number: 2051
XlogP3-AA: 2.80 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Register name to be change to 2R,5S-isopulegone.
Category: flavor and fragrance 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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 754  isopulegone
Flavis Number: 07.067 (Old)
DG SANTE Food Flavourings: 07.067  2R,5S-isopulegone
FEMA Number: 2964  isopulegone
FDA Mainterm: ISOPULEGONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.92500 to 0.93200 @  25.00 °C.
Pounds per Gallon - (est).: 7.697 to  7.755
Refractive Index: 1.46500 to 1.47300 @  20.00 °C.
Boiling Point: 101.00 to  102.00 °C. @ 17.00 mm Hg
Boiling Point: 208.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.140000 mm/Hg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.44 °C. )
logP (o/w): 2.408 (est)
Soluble in:
 alcohol
 water, slightly
 water, 266.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: minty
Odor Strength: medium
 peppermint  fresh  herbal  
Odor Description:
at 100.00 %. 
peppermint fresh herbal
  
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Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
isoPulegone
Penta International
isoPULEGONE, Kosher
Penta International
isoPULEGONE, NATURAL
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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:
intravenous-dog LDLo  450 mg/kg
VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION CARDIAC: CHANGE IN RATE
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopulegone usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2500 (μg/person/day)
Threshold of Concern:540 (μg/person/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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -16.00000
beverages(nonalcoholic): -4.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -12.00000
fruit ices: -12.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -16.00000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 6.4000011.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 9.5000012.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 6.100007.00000
Meat and meat products, including poultry and game (08.0): 11.0000015.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients.View pdf
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 57 (FGE.57)[1]: Consideration of two structurally related pulegone metabolites and one ester thereof evaluated by JECFA (55th meeting)
View page or View pdf
Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 57, Revision 1 (FGE.57Rev1): consideration of isopulegone and three flavouring substances evaluated by JECFA (55th meeting)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 34645
National Institute of Allergy and Infectious Diseases: Data
 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
Chemidplus: 0029606799
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References:
 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 29606-79-9
Pubchem (cid): 34645
Pubchem (sid): 134996316
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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 Everything Added to Food in the United States (EAFUS): View
CHEBI: View
HMDB (The Human Metabolome Database): Search
FooDB: FDB014368
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
camphoreous
camphoreous
 herbal ethanoneFR
floral
 menthadienyl formateFR
fruity
3-benzyl-4-heptanoneFL/FR
herbal
isodihydrolavandulolFR
(Z)-isodihydrolavandulyl acetateFR
 herbal undecanolFR
 hyssop oilFL/FR
para-menthane-3,8-diolFL/FR
 piperitoneFL/FR
 rosemary absoluteFL/FR
common tansy flower oilFR
common tansy flower oil dutchFR
mentholic
 cornmint oilFL/FR
 cornmint oil indiaFL/FR
 cornmint oil terpenelessFL/FR
dextro,laevo-mentholFL/FR
laevo-mentholFL/FR
(±)-isomenthoneFL/FR
laevo-menthyl acetateFL/FR
 menthyl acetate racemicFL/FR
 peppermint cyclohexanoneFL/FR
dextro-piperitoneFL/FR
isopulegyl acetateFL/FR
minty
homomentholFL/FR
(-)-menthoneFL/FR
homomenthyl acetateFL/FR
 pennyroyal oilFL/FR
 peppermint oil idahoFL/FR
 peppermint oil terpenelessFL/FR
(-)-isopulegolFL/FR
(R)-(+)-pulegoneFL/FR
 WS-23FL/FR
thujonic
common tansy oil canadaFR
 
For Flavor
 
No flavor group found for these
(±)-N,N-dimethyl menthyl succinamideFL
para-menthane-3,8-diolFL/FR
homomentholFL/FR
(±)-isomenthoneFL/FR
3-laevo-menthoxy-2-methyl propane-1,2-diolFL
 menthyl acetate racemicFL/FR
 piperitenone oxideFL
 piperitoneFL/FR
dextro-piperitoneFL/FR
(-)-isopulegolFL/FR
 menthyl methyl lactateFL
cooling
dextro,laevo-mentholFL/FR
laevo-mentholFL/FR
homomenthyl acetateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
herbal
 hyssop oilFL/FR
 rosemary absoluteFL/FR
mentholic
 cornmint oilFL/FR
 cornmint oil terpenelessFL/FR
 peppermint cyclohexanoneFL/FR
minty
 cornmint oil indiaFL/FR
(-)-menthoneFL/FR
laevo-menthyl acetateFL/FR
 pennyroyal oilFL/FR
 peppermint oil idahoFL/FR
 peppermint oil terpenelessFL/FR
(R)-(+)-pulegoneFL/FR
 WS-23FL/FR
woody
isopulegyl acetateFL/FR
 
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Potential Uses:
 herbalFR
 mintFR
 pepper 
 peppermintFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 calamintha nepeta (l.) savi subsp. glandulosa oil greece @ 0.70%
Data  GC  Search Trop  Picture
 cornmint leaf
Search Trop  Picture
 plectranthus glandulosus hook f. leaf oil cameroon @ 1.80%
Data  GC  Search Trop  Picture
 satureja viminea l. oil costa rica @ 0.60%
Data  GC  Search Trop  Picture
 tsauri grass oil @ 1.40%
Data  GC  Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 cyclohexanone, 2-isopropylideno-5-methyl-
 cyclohexanone, 5-methyl-2-(1-methylethenyl)-
p-menth-8-en-3-one
para-menth-8-en-3-one
delta-8,9-p-menthen-3-one
delta-8,9-para-menthen-3-one
8(9)-p-menthen-3-one, d-
trans-5-methyl-2-(1-methyl vinyl) cyclohexan-1-one
trans-5-methyl-2-(1-methylethenyl)cyclohexanone
trans-5-methyl-2-(1-methylvinyl)cyclohexan-1-one
5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one
5-methyl-2-(prop-1-en-2-yl)cyclohexanone
5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
1-methyl-4-isopropenyl-3-cyclohexanone
1-isopropyl-4-methyl-2-cyclohexanone
isopulegon
(+)-cis-isopulegone
2R,5S-isopulegone
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Articles:
PubMed: Effect of different growth stages of Ziziphora clinopodioides Lam. on its chemical composition.
PubMed: Is differential use of Juniperus monosperma by small ruminants driven by terpenoid concentration?
PubMed: Chemical composition of the essential oils of variegated pink-fleshed lemon (Citrus x limon L. Burm. f.) and their anti-inflammatory and antimicrobial activities.
PubMed: Chemical composition and biological evaluation of essential oils of Pulicaria jaubertii.
PubMed: [A new monoterpenoid glucoside from the twigs of Chamaecyparis obtusa var. breviramea f. crippsii].
PubMed: Chemical composition and antibacterial activity of the essential oil from Mentha requienii Bentham.
PubMed: Chemical composition and biological assays of essential oils of Calamintha nepeta (L.) Savi subsp. nepeta (Lamiaceae).
PubMed: Chemical composition, antimicrobial and antioxidant activities of the essential oil of Tibetan herbal medicine Dracocephalum heterophyllum Benth.
PubMed: Genetic variability in Hesperozygis ringens Benth. (Lamiaceae), an endangered aromatic and medicinal plant of southern Brazil.
PubMed: Essential oil composition, antibacterial and antioxidant activity of the oil and various extracts of Ziziphora clinopodioides subsp. rigida (BOISS.) RECH. f. from Iran.
PubMed: New monoterpenes from Mentha microphylla.
PubMed: Monoterpene double-bond reductases of the (-)-menthol biosynthetic pathway: isolation and characterization of cDNAs encoding (-)-isopiperitenone reductase and (+)-pulegone reductase of peppermint.
PubMed: Transformation of a monoterpene ketone, (R)-(+)-pulegone, a potent hepatotoxin, in Mucor piriformis.
PubMed: Metabolic fate of S-(-)-pulegone in rat.
PubMed: Biotransformations of R-(+)-pulegone and menthofuran in vitro: chemical basis for toxicity.
PubMed: The Essential Oil of Poliomintha incana.
PubMed: Metabolism of monoterpenes: demonstration that (+)-cis-isopulegone, not piperitenone, is the key intermediate in the conversion of (-)-isopiperitenone to (+)-pulegone in peppermint (Mentha piperita).
PubMed: Microbial transformations of some monoterpenoids and sesquiterpenoids.
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