daucene
dauca-4,8-diene
 
Notes:
Constit. of Daucus carota (carrot)
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CAS Number: 16661-00-0Picture of molecule3D/inchi
Nikkaji Web: J14.725G
XlogP3-AA: 3.80 (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: 94.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 275.00 to  276.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 227.00 °F. TCC ( 108.33 °C. )
logP (o/w): 5.996 (est)
Soluble in:
 alcohol
 water, 0.04532 mg/L @ 25 °C (est)
Insoluble in:
 water
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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 daucene usage levels up to:
 not for fragrance use.
 
Recommendation for daucene 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 : 177773
National Institute of Allergy and Infectious Diseases: Data
 6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene
Chemidplus: 0016661000
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References:
 6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 177773
Pubchem (sid): 135155422
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): HMDB35361
FooDB: FDB014033
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
 carrot
Search Trop  Picture
 carrot seed oil @ 0.39%
Data  GC  Search Trop  Picture
 carrot weed oil @ 3.50%
Data  GC  Search Trop  Picture
 cumin seed
Search Trop  Picture
 prangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.30%
Data  GC  Search Trop  Picture
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Synonyms:
 dauca-4,8-diene
6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene
3-isopropyl-6,8a-dimethyl-2,4,5,8-tetrahydro-1H-azulene
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Articles:
PubMed: A unified approach to the daucane and sphenolobane bicyclo[5.3.0]decane core: enantioselective total syntheses of daucene, daucenal, epoxydaucenal B, and 14-para-anisoyloxydauc-4,8-diene.
PubMed: Attractiveness of an aggregation pheromone lure and chicken droppings to adults and larvae of Alphitobius diaperinus (Coleoptera: Tenebrionidae).
PubMed: Essential oil compositions and cytotoxic activities of Dendropanax capillaris, Oreopanax nubigenus, and Schefflera rodrigueziana from Monteverde, Costa Rica.
PubMed: Male-produced aggregation pheromone of the lesser mealworm beetle, Alphitobius diaperinus.
PubMed: Redox electron-transfer reactions: electrochemically mediated rearrangement, mechanism, and a total synthesis of daucene.
PubMed: Two new guaianolides and a new daucene derivative from Sinodielsia yunnanensis.
PubMed: ent-Daucane and acorane sesquiterpenes from x Cupressocyparis leylandii foliage.
PubMed: Ca2+-entry blockade by CAF603, a carotane sesquiterpene isolated from Trichoderma virens.
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