artemisyl ketone
2,5,5-trimethyl-1,6-heptadien-4-one
Identification
| Name | artemisyl ketone |
| IUPAC | 3,3,6-trimethylhepta-1,5-dien-4-one |
| CAS Number | 546-49-6 |
| EINECS | 208-903-3 |
| FDA UNII | 0JA03K53PD |
| Molecular Formula | C10 H16 O |
| Molecular Weight | 152.23672000 |
| MDL Number | MFCD00151948 |
| Nikkaji Number | J11.568A |
| Beilstein | 1701720 |
Regulatory
| DG SANTE Food Flavourings | 07.204 3,3,6-trimethylhepta-1,5-dien-4-one |
Physical Properties
| Appearance | pale yellow to yellow green clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86700 to 0.87300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.214 to 7.264 |
| Refractive Index | 1.46200 to 1.46800 @ 20.00 °C. |
| Boiling Point | 181.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.339000 mmHg @ 25.00 °C. (est) |
| Flash Point | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w) | 2.284 (est) |
| Shelf Life | 24.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for artemisyl ketone usage levels up to | 0.8000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 4.00000 |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
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Potential Uses
Natural Occurrence
Synonyms
artemesia ketone
artemisia ketone
1,5-
heptadien-4-one, 3,3,6-trimethyl-
3,3,6-
trimethyl-1,5-heptadien-4-one
2,5,5-
trimethyl-1,6-heptadien-4-one
3,3,6-
trimethylhepta-1,5-dien-4-one
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Volatile fingerprints of artemisinin-rich Artemisia annua cultivars by headspace solid-phase microextraction gas chromatography/ mass spectrometry.
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Volatile profiles of Artemisia alba from contrasting serpentine and calcareous habitats.
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Composition at different development stages of the essential oil of four Achillea species grown in Iran.
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Insecticidal activity of essential oils from native medicinal plants of Central Argentina against the house fly, Musca domestica (L.).
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Effect of arbuscular mycorrhizal (AM) colonization on terpene emission and content of Artemisia annua L.
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Chemical Composition and Biological Activity of the Centipeda minima (Asteraceae).
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Biosynthesis of the irregular monoterpene artemisia ketone, the sesquiterpene germacrene D and other isoprenoids in Tanacetum vulgare L. (Asteraceae).
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Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt.
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Antimicrobial activity of Artemisia douglasiana leaf essential oil.
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Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway.
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Antibacterial and antioxidant activities of Artemisia annua essential oil.
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Seasonal variation in chemical constituents of Santolina rosmarinifolia L. ssp. rosmarinifolia.
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Variation in volatile compounds from tansy (Tanacetum vulgare L.) related to genetic and morphological differences of genotypes.
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The role of mass spectrometry in medicinal plant research.
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Olfactory responses of a specialist and a generalist grasshopper to volatiles ofArtemisia ludoviciana nutt. (Asteraceae).