(Z)-calamenene
naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S)-
 
Notes:
None found
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CAS Number: 72937-55-4Picture of molecule3D/inchi
FDA UNII: 5C6W67N6XM
Nikkaji Web: J12.842B
XlogP3-AA: 5.10 (est)
Molecular Weight: 202.34034000
Formula: C15 H22
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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PubMed: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 284.99 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 258.00 °F. TCC ( 125.40 °C. ) (est)
logP (o/w): 6.227 (est)
Soluble in:
 alcohol
 water, 0.1962 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 (Z)-calamenene usage levels up to:
 not for fragrance use.
 
Recommendation for (Z)-calamenene 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 : 6429077
National Institute of Allergy and Infectious Diseases: Data
 (1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
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References:
 (1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6429077
Pubchem (sid): 10545127
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
 bay leaf oil @ <0.01-0.07%
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 bogwood
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 brachylaena hutchinsii
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 cedrela odorata
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 cistus twig/leaf oil @ 0.5%
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 cymbopogon laniger extract @ 1.90%
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 eugenia brasiliensis
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 geranium rose-scented oil cuba @ 0.20%
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 mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.20%
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 origanum vulgare ssp. vulgare oil himalaya @ 2.60%
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 rosemary oil egypt @ 0.13%
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 sclerotinia minor
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 sclerotinia sclerotiorum
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 sclerotium rolfsii
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 tansy oil (tanacetum annum l.) marocco @ 0.30%
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 thyme oil wild or creeping france @ 0.33%
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 vassoura oil @ 1.00%
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Synonyms:
(-)-calamenene
(-)-cis-calamenene
1S-cis-calamenene
cis-calamenene
L-calamenene
laevo-calamenene
(1S-cis)-1,6-dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene
(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
 naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-
 naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S)-
(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
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Articles:
PubMed: Chemical composition, antimicrobial properties and toxicity evaluation of the essential oil of Cupressus lusitanica Mill. leaves from Cameroon.
PubMed: Phytochemical analysis and cytotoxicity towards multidrug-resistant leukemia cells of essential oils derived from Lebanese medicinal plants.
PubMed: Composition of the essential oil of Pogostemon travancoricus var. travancoricus.
PubMed: Chemical composition of the essential oils of the berries of Juniperus oxycedrus L. ssp. rufescens (L. K.) and Juniperus oxycedrus L. ssp. macrocarpa (S. & m.) Ball. and their antioxidant activities.
PubMed: Volatile compounds and bioactivity of Eremurus spectabilis (Ciris), a Turkish wild edible vegetable.
PubMed: Nepetalactone content and antibacterial activity of the essential oils from different parts of Nepeta persica.
PubMed: Essential oil composition of Hypericum triquetrifolium Turra. aerial parts.
PubMed: Chemical composition and antidermatophytic properties of volatile fractions of hexanic extract from leaves of Cupressus lusitanica Mill. from Cameroon.
PubMed: Volatile compounds emitted by sclerotia of Sclerotinia minor, Sclerotinia sclerotiorum, and Sclerotium rolfsii.
PubMed: The stereochemistry of ledol from Renealmia chrysotrycha: an NMR study.
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