| Name: | (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| CAS Number: | 489-39-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 207-694-6 |
| FDA UNII: | Search |
| Nikkaji Web: | J12.596B |
| Beilstein Number: | 2554306 |
| MDL: | MFCD00062951 |
| XlogP3-AA: | 4.70 (est) |
| Molecular Weight: | 204.35628000 |
| Formula: | C15 H24 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 258.00 to 259.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.023000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 223.00 °F. TCC ( 106.11 °C. )
|
| logP (o/w): | 6.427 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: |
| | alcohol | | | water, 0.07057 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | None - None found. |
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
|
| |
| 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: |
|
Not determined
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | natural substances and extractives |
| Recommendation for (+)-aromadendrene usage levels up to: | | | not for fragrance use.
|
| |
| Recommendation for (+)-aromadendrene flavor usage levels up to: |
| | not for flavor use.
|
Safety References:
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11095734 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| Chemidplus:0000489394 |
References:
| | (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11095734 |
| Pubchem (sid): | 134976280 |
| Flavornet: | 489-39-4 |
| Pherobase: | View |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (1ar- (1aalpha,4aalpha, 7alpha,7abeta,7balpha))- | decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop(e)azulene | | (1R,2S,8R,11R)-7- | methylene-3,3,11-trimethyltricyclo[6.3.0.02.4]undecane | | (1aR,4aR,7R,7aR,7bS)-1,1,7- | trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
Articles:
| PubMed:Assessment of Volatile Chemical Composition of the Essential Oil of Jatropha ribifolia (Pohl) Baill by HS-SPME-GC-MS Using Different Fibers. |
| PubMed:Assessment of the chemical composition and in vitro antimicrobial potential of extracts of the liverwort Scapania aspera. |
| PubMed:Hepatoprotection of sesquiterpenoids: a quantitative structure-activity relationship (QSAR) approach. |
| PubMed:Influence of combinations of digitonin with selected phenolics, terpenoids, and alkaloids on the expression and activity of P-glycoprotein in leukaemia and colon cancer cells. |
| PubMed:A comparative analysis of essential oils of Goniothalamus macrocalyx Ban., Goniothalamus albiflorus Ban. and Goniothalamus tamirensis Pierre ex Fin. & Gagnep. from Vietnam. |
| PubMed:Induction of defensive response in Eucalyptus globulus plants and its persistence in vegetative propagation. |
| PubMed:Volatile organic compounds of conspecific-damaged Eucalyptus benthamii influence responses of mated females of Thaumastocoris peregrinus. |
| PubMed:Essential oils from five species of Annonaceae from Vietnam. |
| PubMed:Chemical composition and biological activities of the essential oil from Calamintha nepeta plants from the wild in southern Italy. |
| PubMed:[GC-MS study on fingerprint of volatile oil from Kadsura heteroclita]. |
| PubMed:Insecticidal and genotoxic activity of Psoralea corylifolia Linn. (Fabaceae) against Culex quinquefasciatus Say, 1823. |
| PubMed:Acaricidal activity of essential oils from five endemic conifers of New Caledonia on the cattle tick Rhipicephalus (Boophilus) microplus. |
| PubMed:Antimicrobial Potential and Chemical Characterization of Serbian Liverwort (Porella arboris-vitae): SEM and TEM Observations. |
| PubMed:Chemotaxonomical markers in essential oil of Murraya koenigii. |
| PubMed:Synergism of three-drug combinations of sanguinarine and other plant secondary metabolites with digitonin and doxorubicin in multi-drug resistant cancer cells. |
| PubMed:Digitonin synergistically enhances the cytotoxicity of plant secondary metabolites in cancer cells. |
| PubMed:Chemical composition of essential oil and in vitro antioxidant activities of the essential oil and methanol extracts of Eucalyptus loxophleba. |
| PubMed:Helichrysum gymnocephalum essential oil: chemical composition and cytotoxic, antimalarial and antioxidant activities, attribution of the activity origin by correlations. |
| PubMed:Essential oil composition of Eucalyptus procera Dehnh. leaves from central Iran. |
| PubMed:Changes in volatile compound composition of Antrodia camphorata during solid state fermentation. |
| PubMed:Chemical composition and antioxidant, antimicrobial, and larvicidal activities of the essential oils of Annona salzmannii and A. pickelii (Annonaceae). |
| PubMed:Volatile compounds in the stem bark of Sclerocarya birrea (Anacardiaceae) possess antimicrobial activity against drug-resistant strains of Helicobacter pylori. |
| PubMed:Bioactive phytochemicals of leaf essential oils of Cinnamomum osmophloeum prevent lipopolysaccharide/D-galactosamine (LPS/D-GalN)-induced acute hepatitis in mice. |
| PubMed:Antibacterial activity of essential oils from Eucalyptus and of selected components against multidrug-resistant bacterial pathogens. |
| PubMed:Comparison of Eucalyptus cinerea essential oils produced by hydrodistillation and supercritical carbon dioxide extraction. |
| PubMed:Variation in volatile leaf oils of five Eucalyptus species harvested from Jbel Abderrahman arboreta (Tunisia). |
| PubMed:Allelochemical effects of volatile compounds and organic extracts from Muscodor yucatanensis, a tropical endophytic fungus from Bursera simaruba. |
| PubMed:Synergistic properties of the terpenoids aromadendrene and 1,8-cineole from the essential oil of Eucalyptus globulus against antibiotic-susceptible and antibiotic-resistant pathogens. |
| PubMed:Induction of sesquiterpenes, phytoesterols and extracellular pathogenesis-related proteins in elicited cell cultures of Capsicum annuum. |
| PubMed:A chemical marker proposal for the Lantana genus: composition of the essential oils from the leaves of Lantana radula and L. canescens. |
| PubMed:Variation in volatile leaf oils of twelve eucalyptus species harvested from Hajeb Layoun arboreta (Tunisia). |
| PubMed:Structure-activity relationships of aromadendranes in uterus-relaxant activity. |
| PubMed:Antimicrobial activity and chemical composition of Senecio sandrasicus on antibiotic resistant staphylococci. |
| PubMed:The chemical composition of the essential oils of Euphorbia caracasana and E. cotinifolia (Euphorbiaceae) from Venezuela. |
| PubMed:Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy. |
| PubMed:Chemical composition, antifungal and antitumor properties of ether extracts of Scapania verrucosa Heeg. and its endophytic fungus Chaetomium fusiforme. |
| PubMed:Variability of the needle essential oils of Pinus peuce from different populations in Montenegro and Serbia. |
| PubMed:Chemical constituents and larvicidal property of the essential oil of Blumea mollis (D. Don) Merr. against Culex quinquefasciatus. |
| PubMed:Comparative study on volatile components of Nardostachys rhizome. |
| PubMed:Composition of Eucalyptus camaldulensis volatiles using direct thermal desorption coupled with comprehensive two-dimensional gas chromatography-time-of-flight-mass spectrometry. |
| PubMed:Bullatenone, 1,3-dione and sesquiterpene chemotypes of Lophomyrtus species. |
| PubMed:[Gas chromatography for analysis of essential oils. Characteristics of essential oil of Dracocephalum species and the influence of extraction method on its composition]. |
| PubMed:Variability of the needle essential oils of Pinus heldreichii from different populations in Montenegro and Serbia. |
| PubMed:[Headspace solid-phase microextraction-gas chromatography-mass spectrometry for analysis of volatile components from Atractlodes macrocephala Koidz]. |
| PubMed:Effect of intraspecific competition and substrate type on terpene emissions from some Mediterranean plant species. |
| PubMed:Biotransformation of terpenoids by mammals, microorganisms, and plant-cultured cells. |
| PubMed:Analysis of atmospheric sesquiterpenes: sampling losses and mitigation of ozone interferences. |
| PubMed:Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities. |
| PubMed:Determination of specific volatile organic compounds synthesised during Tuber borchii fruit body development by solid-phase microextraction and gas chromatography/mass spectrometry. |
| PubMed:Composition and antimicrobial activity of the essential oil of Hypericum rumeliacum subsp. apollinis (Boiss. & Heldr.). |
| PubMed:[Study of chemical constituents of essential oil from flowers of Mikania micrantha H.B.K]. |
| PubMed:Monitoring and fast detection of mycotoxin-producing fungi based on headspace solid-phase microextraction and headspace sorptive extraction of the volatile metabolites. |
| PubMed:Comparison of eucalyptus camaldulensis Dehn. oils from Mozambique as obtained by hydrodistillation and supercritical carbon dioxide extraction. |
| PubMed:The stereochemistry of ledol from Renealmia chrysotrycha: an NMR study. |
| PubMed:The steam volatile oil of Wollemia nobilis and its comparison with other members of the Araucariaceae (Agathis and Araucaria). |
| PubMed:Solid phase microextraction of volatile constituents from individual fresh Eucalyptus leaves of three species. |
| PubMed:Chemical, physical and antimicrobial properties of essential oils of Leptospermum scoparium and Kunzea ericoides. |
| PubMed:Diversity in cyclic sesquiterpene production by Gossypium hirsutum. |
| PubMed:Melaleuca oil (tea tree oil) dermatitis. |
| PubMed:[Analysis of chemical constituent of essential oil in Lonicera japonnica Thunb. cultivated on the northern plain of Henan Province]. |
| PubMed:Composition of essential oils of Laurus nobilis, L. nobilis var. angustifolia and Laurus azorica. |
| PubMed:Chemical studies of marine invertebrates. XXVII. On the absolute configuration of aromadendrane sesquiterpenes from the soft coral Cespitularia aff. subviridis. |
| PubMed:The total synthesis of (-)-aromadendrene. |
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