calacorene
4-isopropyl-1,6-dimethyl-1,2-dihydronaphthalene
 
Notes:
None found
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CAS Number: 38599-17-6Picture of molecule3D/inchi
XlogP3-AA: 4.40 (est)
Molecular Weight: 200.32440000
Formula: C15 H20
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: 291.39 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 261.00 °F. TCC ( 127.10 °C. ) (est)
logP (o/w): 6.027 (est)
Soluble in:
 water, 0.2376 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 calacorene usage levels up to:
 not for fragrance use.
 
Recommendation for calacorene 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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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5315609
National Institute of Allergy and Infectious Diseases: Data
 1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
Chemidplus: 0038599176
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References:
 1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5315609
Pubchem (sid): 135264909
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
Wikipedia: 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
 alpinia officinarum root oil @ 0.11%
Data  GC  Search Trop  Picture
 polyalthia australis (benth.) jessup leaf oil australia @ 0.30%
Data  GC  Search Trop  Picture
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Synonyms:
1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
4-isopropyl-1,6-dimethyl-1,2-dihydronaphthalene
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Articles:
PubMed: Essential oils from Schinus species of northwest Argentina: Composition and antifungal activity.
PubMed: Essential oils and crude extracts from Chrysanthemum trifurcatum leaves, stems and roots: chemical composition and antibacterial activity.
PubMed: Characterization of novel single-variety oxygenated sesquiterpenoid hop oil fractions via headspace solid-phase microextraction and gas chromatography-mass spectrometry/olfactometry.
PubMed: Chemical composition of the essential oil of Lepidagathis fasciculata from Bondla forest of Goa, India.
PubMed: Optimisation of supercritical fluid extraction of essential oil components of Diplotaenia cachrydifolia: Box-Behnken design.
PubMed: Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum.
PubMed: The absolute configuration of (-)-3-hydroxy-alpha-calacorene.
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