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Category:fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91400 @ 20.00 °C.
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| Refractive Index: | 1.45000 @ 20.00 °C.
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| Boiling Point: | 200.00 to 201.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.323000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 147.00 °F. TCC ( 63.89 °C. )
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| logP (o/w): | 2.044 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: |
| | alcohol | | | water, 407.7 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: thujonic |
| cedar thujonic |
| Odor Description:at 10.00 % in dipropylene glycol. cedarleaf thujonic |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Hazards identification |
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| 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 | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 500 mg/kg
French Demande Patent Document. Vol. #2448856
intravenous-rabbit LD50 0.031 mg/kg
French Demande Patent Document. Vol. #2448856
intravenous-rabbit LD50 31 ug/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
intraperitoneal-rat LDLo 120 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 65, Pg. 275, 1939.
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| Dermal Toxicity: |
subcutaneous-rabbit LD50 362 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
subcutaneous-mouse LD50 2157 ug/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
subcutaneous-rabbit LD50 362 ug/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 2, 1940.
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| IFRA Critical Effect: | | Neurotoxicity |
| | View the IFRA Standard |
| View IFRA Standards Library for complete information. |
| Please review Amendment 49 IFRA documentation for complete information. |
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): |
| Category 1: Products applied to the lips |
| 0.11 % |
| Category 2: Products applied to the axillae |
| 0.21 % |
| Category 3: Products applied to the face/body using fingertips |
| 0.032 % |
| Category 4: Products related to fine fragrance |
| 1.40 % |
| | Category 5: Products applied to the face and body using the hands (palms), primarily leave-on |
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on |
| 0.095 % |
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on |
| 0.032 % |
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on |
| 0.016 % |
| Category 5D: Baby Creams, baby Oils and baby talc |
| 0.0053 % |
| Category 6: Products with oral and lip exposure |
| 0.095 % |
| | Category 7: Products applied to the hair with some hand contact |
| Category 7A: Rinse-off products applied to the hair with some hand contact |
| 0.24 % |
| Category 7B: Leave-on products applied to the hair with some hand contact |
| 0.24 % |
| Category 8: Products with significant anogenital exposure |
| 0.0053 % |
| Category 9: Products with body and hand exposure, primarily rinse off |
| 0.13 % |
| | Category 10: Household care products with mostly hand contact |
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) |
| 0.13 % |
| Category 10B: Household aerosol/spray products |
| 0.22 % |
| | Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate |
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure |
| 0.0053 % |
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure |
| 0.0053 % |
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin |
| 9.50 % |
| | Notes: |
| IFRA FLAVOR REQUIREMENTS: |
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. |
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| Recommendation for alpha-thujone flavor usage levels up to: |
| | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)- | | | bicyclo[3.1.0]hexan-3-one, 4-methyl-1- (1-methylethyl)-, [1S-(1a,4a,5a)]- | | | bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)- | | (1S-1-alpha, 4-alpha,5-alpha)-4- | methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-one | | (1S,4R,5R)-4- | methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one | | [1S-(1a,4a,5a)]-4- | methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one | | (1S,4R,5R)-4-1S,4R,5R)-4- | methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one | | (1S,4R,5R)-4- | methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one | | iso | propyl methyl bicyclohexanone | | (1S,4R)-1-iso | propyl-4-methyl bicyclo(3.1.0)hexan-3-one | | (Z+E)-1-iso | propyl-4-methyl bicyclo(3.1.0)hexan-3-one | | (1S,4R,5R)-1-iso | propyl-4-methylbicyclo[3.1.0]hexan-3-one | | (1S,4R)-1-iso | propyl-4-methylbicyclo[3.1.0]hexan-3-one | | (1S,4R,5R)- | thujan-3-one | | (-)-3- | thujanone | | (1S,4R,5R)-(-)-3- | thujanone | | 3- | thujanone, (-)- | | 3- | thujanone, (1S,4R,5R)-(-)- | | (-)- | thujone | | (-)-3-iso | thujone | | (-)-a- | thujone | | (-)-alpha- | thujone | | (-)-iso | thujone | | a- | thujone | | a-(-)- | thujone | | alpha- | thujone | | L- | thujone | | laevo- | thujone |
Articles:
| PubMed:Chemical composition and antimicrobial activity of essential oils from Acantholippia deserticola, Artemisia proceriformis, Achillea micrantha and Libanotis buchtormensis against phytopathogenic bacteria and fungi. |
| PubMed:Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy on Intact Dried Leaves of Sage (Salvia officinalis L.): Accelerated Chemotaxonomic Discrimination and Analysis of Essential Oil Composition. |
| PubMed:Determination of volatile organic compounds in the dried leaves of Salvia species by solid-phase microextraction coupled to gas chromatography mass spectrometry. |
| PubMed:Artemisia herba-alba essential oil from Buseirah (south Jordan): Chemical characterization and assessment of safe antifungal and anti-inflammatory doses. |
| PubMed:Repellent Effect and Metabolite Volatile Profile of the Essential Oil of Achillea millefolium Against Aegorhinus nodipennis (Hope) (Coleoptera: Curculionidae). |
| PubMed:Ethnobotanical survey of medicinal plants used in the Maseru district of Lesotho. |
| PubMed:Artemisia arborescens "Powis Castle" extracts and α-thujone prevent fruit infestation by codling moth neonates. |
| PubMed:Thuja occidentalis L. and its active compound, α-thujone: Promising effects in the treatment of polycystic ovary syndrome without inducing osteoporosis. |
| PubMed:The antifungal activity of Artemisia sieberi essential oil from different localities of Iran against dermatophyte fungi. |
| PubMed:Inhibitory Effects of Chrysanthemum boreale Essential Oil on Biofilm Formation and Virulence Factor Expression of Streptococcus mutans. |
| PubMed:Fumigant toxicity of basil oil compounds and related compounds to Thrips palmi and Orius strigicollis. |
| PubMed:Volatile compounds from Achillea tenorii (Grande) growing in the Majella National Park (Italy). |
| PubMed:Volatile-oils composition, and bioactivity of the essential oils of Plectranthus barbatus, P. neochilus, and P. ornatus grown in Portugal. |
| PubMed:TLC-direct bioautography for determination of antibacterial activity of Artemisia adamsii essential oil. |
| PubMed:Central α- and β-thujone: similar anxiogenic-like effects and differential modulation on GABAA receptors in neonatal chicks. |
| PubMed:Chemical composition and general toxicity of essential oils extracted from the aerial parts of Artemisia armeniaca Lam. and A. incana (L.) Druce growing in Iran. |
| PubMed:Toxicokinetics of α-thujone following intravenous and gavage administration of α-thujone or α- and β-thujone mixture in male and female F344/N rats and B6C3F1 mice. |
| PubMed:Phytochemical composition of the essential oil of different populations of Stachys lavandulifolia Vahl. |
| PubMed:Constituents of Artemisia gmelinii Weber ex Stechm. from Uttarakhand Himalaya: A Source of Artemisia Ketone. |
| PubMed:Bioactivities of volatile components from Nepalese Artemisia species. |
| PubMed:Identification of genes in Thuja plicata foliar terpenoid defenses. |
| PubMed:Attempts to separate (-)-α-thujone, (+)-β-thujone epimers from camphor enantiomers by enantioselective HPLC with polarimetric detection. |
| PubMed:Monoterpene α-thujone exerts a differential inhibitory action on GABA(A) receptors implicated in phasic and tonic GABAergic inhibition. |
| PubMed:Chemical composition and anticancer activity of essential oils of Mediterranean sage (Salvia officinalis L.) grown in different environmental conditions. |
| PubMed:Terpenoids of plant origin inhibit morphogenesis, adhesion, and biofilm formation by Candida albicans. |
| PubMed:Essential oil variation in the populations of Artemisia spicigera from northwest of Iran: chemical composition and antibacterial activity. |
| PubMed:Chemical composition and antimicrobial activity of essential oils from Scabiosa arenaria Forssk: growing wild in Tunisia. |
| PubMed:Modulation of GABAergic synaptic currents and current responses by α-thujone and dihydroumbellulone. |
| PubMed:Chemical composition and antifungal activity of Artemisia nilagirica essential oil growing in northern hilly areas of India. |
| PubMed:Metabolism of α-thujone in human hepatic preparations in vitro. |
| PubMed:Composition and intraspecific chemical variability of the essential oil from Artemisia herba-alba growing wild in a Tunisian arid zone. |
| PubMed:Antimicrobial and antioxidant properties of the essential oil of Salvia lanigera from Cyprus. |
| PubMed:Chemical composition of the essential oil of Salvia officinalis L. from Romania. |
| PubMed:Effects of foliar fertilization and arbuscular mycorrhizal colonization on Salvia officinalis L. growth, antioxidant capacity, and essential oil composition. |
| PubMed:Composition at different development stages of the essential oil of four Achillea species grown in Iran. |
| PubMed:Essential oil composition of Achillea clusiana from Bulgaria. |
| PubMed:Misidentification of tansy, Tanacetum macrophyllum, as yarrow, Achillea grandifolia: a health risk or benefit? |
| PubMed:Influence of gibberellin and daminozide on the expression of terpene synthases and on monoterpenes in common sage (Salvia officinalis). |
| PubMed:Artemisia fukudo essential oil attenuates LPS-induced inflammation by suppressing NF-kappaB and MAPK activation in RAW 264.7 macrophages. |
| PubMed:Chemical composition of hydrodistilled essential oil of Artemisia incana (L.) Druce and antimicrobial activity against foodborne microorganisms. |
| PubMed:Variations in essential oil, phenolic compounds, and antioxidant activity of tunisian cultivated Salvia officinalis L. |
| PubMed:Absinthe, epileptic seizures and Valentin Magnan. |
| PubMed:Compositional variation of the essential oils of Artemisia afra Jacq. from three provinces in South Africa--a case study of its safety. |
| PubMed:In vitro evaluation of the permeation through reconstructed human epidermis of essentials oils from cosmetic formulations. |
| PubMed:Essential oil composition of Tanacetum vulgare subsp. siculum (Guss.) Raimondo et Spadaro (Asteraceae) from Sicily. |
| PubMed:Flowerhead volatile oil composition of soilless culture-grown Chrysanthemum balsamita L. |
| PubMed:Cytotoxicity, antimicrobial activity and composition of essential oil from Tanacetum balsamita L. subsp. balsamita. |
| PubMed:Effects of the essential oils of Lippia turbinata and Lippia polystachya (Verbenaceae) on the temporal pattern of locomotion of the mosquito Culex quinquefasciatus (Diptera: Culicidae) larvae. |
| PubMed:Tunisian Salvia officinalis L. and Schinus molle L. essential oils: their chemical compositions and their preservative effects against Salmonella inoculated in minced beef meat. |
| PubMed:Mass propagation and essential oil analysis of Artemisia vulgaris. |
| PubMed:Tick repellent substances in the essential oil of Tanacetum vulgare. |
| PubMed:Chemical composition and antibacterial activity of essential oil from Artemisia feddei. |
| PubMed:Insecticidal properties of essential oils from Lippia turbinata and Lippia polystachya (Verbenaceae) against Culex quinquefasciatus (Diptera: Culicidae). |
| PubMed:Composition of the essential oil of Salvia officinalis L. from various European countries. |
| PubMed:Chemical composition and antifungal activity of the essential oils of three species of Artemisia on some soil-borne phytopathogens. |
| PubMed:Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection. |
| PubMed:The essential oil of Solvia cabulica. |
| PubMed:Biotransformation of terpenoids by mammals, microorganisms, and plant-cultured cells. |
| PubMed:Phytochemical analysis of the essential oil of Achillea millefolium L. from various European Countries. |
| PubMed:Acaricidal activities of paeonol and benzoic acid from Paeonia suffruticosa root bark and monoterpenoids against Tyrophagus putrescentiae (Acari: Acaridae). |
| PubMed:Radical intermediates in the catalytic oxidation of hydrocarbons by bacterial and human cytochrome P450 enzymes. |
| PubMed:Chemical composition and antioxidant, antimicrobial, and antifungal activities of the essential oil of Achillea ligustica all. |
| PubMed:Vapor phase toxicity of marjoram oil compounds and their related monoterpenoids to Blattella germanica (Orthoptera: Blattellidae). |
| PubMed:Antiviral activities of extracts and selected pure constituents of Ocimum basilicum. |
| PubMed:Radical rebound mechanism in cytochrome P-450-catalyzed hydroxylation of the multifaceted radical clocks alpha- and beta-thujone. |
| PubMed:The human taste receptor hTAS2R14 responds to a variety of different bitter compounds. |
| PubMed:Antimicrobial activity of Artemisia douglasiana leaf essential oil. |
| PubMed:Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway. |
| PubMed:Alpha-thujone reduces 5-HT3 receptor activity by an effect on the agonist-reduced desensitization. |
| PubMed:GC analysis of essential oils in the rumen fluid after incubation of Thuja orientalis twigs in the Rusitec system. |
| PubMed:Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens. |
| PubMed:Antibacterial activity and chemical composition of essential oil of Chrysanthemum boreale. |
| PubMed:Composition and antimicrobial activity of the essential oil of Achillea multifida. |
| PubMed:Organ- and season-dependent variation in the essential oil composition of Salvia officinalis L. cultivated at two different sites. |
| PubMed:Detoxification of alpha- and beta-Thujones (the active ingredients of absinthe): site specificity and species differences in cytochrome P450 oxidation in vitro and in vivo. |
| PubMed:Production of yarrow (Achillea millefolium L.) in Norway: essential oil content and quality. |
| PubMed:Role of human GABA(A) receptor beta3 subunit in insecticide toxicity. |
| PubMed:alpha- and beta-Thujones (herbal medicines and food additives): synthesis and analysis of hydroxy and dehydro metabolites. |
| PubMed:Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps pamp.). |
| PubMed:Composition of essential oil of costmary [Balsamita major (L.) Desf. ] at different growth phases. |
| PubMed:Alpha-thujone (the active component of absinthe): gamma-aminobutyric acid type A receptor modulation and metabolic detoxification. |
| PubMed:Dynamics of yield components and essential oil production in a commercial hybrid sage (Salvia officinalis x Salvia fruticosa cv. Newe Ya'ar no. 4). |
| PubMed:Floral volatiles ofTanacetum vulgare L. attractive toLobesia botrana den. et schiff. females. |
| PubMed:Olfactory responses of a specialist and a generalist grasshopper to volatiles ofArtemisia ludoviciana nutt. (Asteraceae). |
| PubMed:Constituents of the Essential Oil of Artemisia coerulescens. |
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Ingredient of absinthe. Presence in food and beverages regulated by legislation
Thujone is a ketone and a monoterpene that occurs naturally in two diastereomeric forms: (-)-alpha-thujone and (+)-beta-thujone. It has a menthol odor. In addition to (-)-alpha-thujone and (+)-beta-thujone, there are their enantiomeric forms, (+)-alpha-thujone and (-)-beta-thujone. (Wikipedia)
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3D/inchi
