isopulegone

p-menth-8-en-3-one

CAS: 29606-79-9 C10 H16 O MW: 152.23672000 minty

Identification

Nameisopulegone
IUPAC5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
CAS Number29606-79-9
EINECS249-725-6
FDA UNII681XD66YSR
Molecular FormulaC10 H16 O
Molecular Weight152.23672000
Nikkaji NumberJ2.365.190D
CoE Number2051

Regulatory

JECFA Food Flavoring754 isopulegone
DG SANTE Food Flavourings07.067 2R,5S-isopulegone
FEMA Number2964
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)29606-79-9 ; ISOPULEGONE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

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, 208.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.140000 mmHg @ 25.00 °C. (est)
Flash Point 175.00 °F. TCC ( 79.44 °C. )
logP (o/w) 2.408 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral Toxicityintravenous-dog LDLo 450 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION\nCARDIAC: CHANGE IN RATE']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for isopulegone usage levels up to1.0000 % 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 Concern540 (μg/person/day)
Structure ClassII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
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-
soups-
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)6.40000
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)9.50000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)6.10000
Meat and meat products, including poultry and game (08.0)11.00000
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)-

BOC Sciences

Best of Chemicals Supplier

Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...

View All Website 1-631-485-4226 account@bocsci.com

Chemical sources Association Inc

Exchange of knowledge

Need This Item for Flavor? You can contact the Chemical Sources Association.

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Potential Uses

FR herbal FR mint FR pepper FR peppermint

Natural Occurrence

calamintha nepeta (l.) savi subsp. glandulosa oil greece @ 0.70% Data cornmint leaf cymbopogon laniger extract @ 0.10-0.50% Data plectranthus glandulosus hook f. leaf oil cameroon @ 1.80% Data satureja viminea l. oil costa rica @ 0.60% Data tsauri grass oil @ 1.40% Data

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-iso propyl-4-methyl-2-cyclohexanone iso pulegon (+)-cis-iso pulegone 2R,5S-iso pulegone 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.