1,4,9-cadalatriene
2,5-dimethyl-8-prop-1-en-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
 
Notes:
Constit. of Acorus calamus (sweet flag)
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CAS Number: 71609-04-6Picture of molecule3D/inchi
XlogP3-AA: 4.30 (est)
Molecular Weight: 202.34034000
Formula: C15 H22
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 293.33 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 241.00 °F. TCC ( 116.30 °C. ) (est)
logP (o/w): 6.026 (est)
Soluble in:
 water, 0.05047 mg/L @ 25 °C (est)
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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 1,4,9-cadalatriene usage levels up to:
 not for fragrance use.
 
Recommendation for 1,4,9-cadalatriene 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 : 6429319
National Institute of Allergy and Infectious Diseases: Data
 2,5-dimethyl-8-prop-1-en-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
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References:
 2,5-dimethyl-8-prop-1-en-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6429319
Pubchem (sid): 10545478
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): HMDB38125
FooDB: FDB017352
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
 acorus calamus rhizome oil @ 2.46%
Data  GC  Search Trop  Picture
 acorus calamus root oil @ 0.64%
Data  GC  Search Trop  Picture
 calamus
Search Trop  Picture
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Synonyms:
 cadala-1,4,9-triene
2,5-dimethyl-8-prop-1-en-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
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