chrysanthenyl acetate
2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
 
Notes:
None found
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CAS Number: 54324-99-1Picture of molecule3D/inchi
Nikkaji Web: J1.669.449E
XlogP3-AA: 2.30 (est)
Molecular Weight: 194.27386000
Formula: C12 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 232.00 to  233.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.060000 mmHg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 3.224 (est)
Soluble in:
 alcohol
 water
 water, 30.19 mg/L @ 25 °C (est)
Insoluble in:
 paraffin oil
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for chrysanthenyl acetate usage levels up to:
 not for fragrance use.
 
Recommendation for chrysanthenyl acetate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 162747
National Institute of Allergy and Infectious Diseases: Data
 (4,7,7-trimethyl-6-bicyclo[3.1.1]hept-3-enyl) acetate
Chemidplus: 0054324991
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References:
 (4,7,7-trimethyl-6-bicyclo[3.1.1]hept-3-enyl) acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 162747
Pubchem (sid): 135117349
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 angelica seed oil CO2 extract @ 2.30%
Data  GC  Search Trop  Picture
 angelica seed oil CO2 extract @ trace%
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 armoise oil morocco @ trace%
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 featherfew leaf oil @ 24.00%
Data  GC  Search Trop  Picture
 feverfew flower oil @ 15.5%
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 feverfew leaf oil belgium @ 23.5%
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 tansy flower oil canada @ 0.20%
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 wormwood oil italy @ trace%
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 wormwood oil poland @ 6.95%
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 yarrow oil greece @ trace%
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Synonyms:
 bicyclo(3.1.1)hept-2-en-6-ol, 2,7,7-trimethyl-, acetate
 bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate
(E)-chrysanthenyl acetate
trans-chrysanthenyl acetate
 filipendulol acetate
(1S-(1.alpha.,5. alpha.,6.beta.))-2,7,7-trimethyl bicyclo(3.1.1)hept-2-en-6-ol acetate
2,7,7-trimethyl bicyclo(3.1.1)hept-2-en-6-ol acetate
(4,7,7-trimethyl-6-bicyclo[3.1.1]hept-3-enyl) acetate
2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
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Articles:
PubMed: Composition of the Essential Oil of Allium neapolitanum Cirillo Growing Wild in Sicily and its Activity on Microorganisms Affecting Historical Art Crafts.
PubMed: Tracking and identification of antibacterial components in the essential oil of Tanacetum vulgare L. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry.
PubMed: Comparative essential oil composition of aerial parts of Tanacetum dumosum Boiss. from Southern Zagros, Iran.
PubMed: Essential oil compositions of two populations of Salvia samuelssonii growing in different biogeographical regions of Jordan.
PubMed: Chemical characterization by GC-MS and in vitro activity against Candida albicans of volatile fractions prepared from Artemisia dracunculus, Artemisia abrotanum, Artemisia absinthium and Artemisia vulgaris.
PubMed: Chemical composition and free radical scavenging activity of the essential oil of Achillea ligustica growing wild in Lipari (Aeolian Islands, Sicily).
PubMed: Insecticide activity of essential oils of Mentha longifolia, Pulicaria gnaphalodes and Achillea wilhelmsii against two stored product pests, the flour beetle, Tribolium castaneum, and the cowpea weevil, Callosobruchus maculatus.
PubMed: Chemical composition, antimicrobial, cytotoxic and antioxidant activities of the essential oil of Artemisia indica Willd.
PubMed: Antimicrobial Activity and Chemical Composition of Essential Oil From the Seeds of Artemisia aucheri Boiss.
PubMed: Chemical composition and antimicrobial activity of the essential oil of Anthemis altissima L. var. altissima.
PubMed: Composition of the essential oils from Anthriscus cerefolium var. trichocarpa and A. caucalis growing wild in the urban area of Vienna (Austria).
PubMed: A myristicin-rich essential oil from Daucus sahariensis growing in Algeria.
PubMed: Essential oil composition of four endemic Ferulago species growing in Turkey.
PubMed: Essential Oil Composition of the Different Parts and In Vitro Shoot Culture of Eryngium planum L.
PubMed: Volatile oil profiles of the aerial parts of Jordanian garland, Chrysanthemum coronarium.
PubMed: Comparative analysis of essential oils of six Anthemis taxa from Serbia and Montenegro.
PubMed: Antibacterial activity and the variation of Tanacetum parthenium (L.) Schultz Bip. essential oils from Turkey.
PubMed: Chemical composition and antimicrobial activity of essential oil of Bupleurum montanum and B. plantagineum.
PubMed: Essential oil composition of Artemisia herba-alba from southern Tunisia.
PubMed: Variability of two essential oils of Kundmannia sicula (L.) DC., a traditional Algerian medicinal plant.
PubMed: Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain.
PubMed: Analysis of the essential oil composition of eight Anthemis species from Greece.
PubMed: Harvest regimen optimization and essential oil production in five tansy (Tanacetum vulgare L.) genotypes under a northern climate.
PubMed: Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway.
PubMed: Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves.
PubMed: Composition and antimicrobial activity of the essential oil of Artemisia absinthium from Croatia and France.
PubMed: Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (dc.) Feinbr. and Fertig.
PubMed: Variation in volatile compounds from tansy (Tanacetum vulgare L.) related to genetic and morphological differences of genotypes.
PubMed: Airborne Compositae dermatitis: monoterpenes and no parthenolide are released from flowering Tanacetum parthenium (feverfew) plants.
PubMed: Prostaglandin synthetase inhibitors in feverfew.
PubMed: The essential oil of Ducrosia anethifolia (DC.) Boiss. Chemical composition and antimicrobial activity.
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