acoradiene
(1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
 
Notes:
None found
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CAS Number: 24048-44-0  (RSS)Picture of molecule3D/inchi
Nikkaji Web: J16.738J
XlogP3-AA: 5.10 (est)
Molecular Weight: 204.35628000
Formula: C15 H24
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 272.00 to  273.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.010000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.20 °C. ) (est)
logP (o/w): 6.536 (est)
Soluble in:
 alcohol
 water, 0.01305 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
alpha-acoradiene
beta-acoradiene
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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 acoradiene usage levels up to:
 not for fragrance use.
 
Recommendation for acoradiene flavor usage levels up to:
 not for flavor use.
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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 : 90351
National Institute of Allergy and Infectious Diseases: Data
 (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
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References:
 (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 90351
Pubchem (sid): 135045840
Pherobase: View
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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
 calamus root oil @ 0.35%
Data  GC  Search Trop  Picture
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Synonyms:
(1R-(1alpha,4beta,5beta))-1,8-dimethyl-4-(1-methyl ethenyl) spiro(4,5)dec-7-ene
(1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
(1R,4S,5S)-4-isopropenyl-1,8-dimethyl spiro(4.5)dec-8-ene
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Articles:
PubMed: Reprogramming the chemodiversity of terpenoid cyclization by remolding the active site contour of epi-isozizaene synthase.
PubMed: Volatile Substances Produced by Fusarium oxysporum from Coffee Rhizosphere and Other Microbes affect Meloidogyne incognita and Arthrobotrys conoides.
PubMed: Extraction of essential oil from Cupressus sempervirens: comparison of global yields, chemical composition and antioxidant activity obtained by hydrodistillation and supercritical extraction.
PubMed: Solid-phase microextraction (SPME) analysis of six Italian populations of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis.
PubMed: Bisabolyl-derived sesquiterpenes from tobacco 5-epi-aristolochene synthase-catalyzed cyclization of (2Z,6E)-farnesyl diphosphate.
PubMed: Consequences of conformational preorganization in sesquiterpene biosynthesis: theoretical studies on the formation of the bisabolene, curcumene, acoradiene, zizaene, cedrene, duprezianene, and sesquithuriferol sesquiterpenes.
PubMed: Gastric antiulcer and anti-inflammatory activities of the essential oil from Casearia sylvestris Sw.
PubMed: Synthetic examination of incorrectly proposed structures of biomolecules.
PubMed: Sesquiterpenes from Cupressus macrocarpa foliage.
PubMed: Revision of the structure of the major aggregation pheromone of the broad-horned flour beetle (Gnatocerus cornutus) to (1S,4R,5R)-alpha-acoradiene by its synthesis.
PubMed: Cloning, expression, and characterization of epi-cedrol synthase, a sesquiterpene cyclase from Artemisia annua L.
PubMed: Production of volatile sesquiterpenes by Fusarium sambucinum strains with different abilities to synthesize trichothecenes.
PubMed: Volatiles of Helichrysum italicum (Roth) G. Don from Croatia
PubMed: An endophytic Fusarium sp. isolated from Monarda citriodora produces the industrially important plant-like volatile organic compound hexanal
PubMed: The Effect of Volatile Oil from Vernonia anthelmintica Seeds on Melanin Synthesis in B16 Cells and Its Chemical Analysis by GC-QTOF-MS
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