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palustrol
4aH-cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-

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Name:1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
CAS Number: 5986-49-2Picture of molecule3D/inchi
Nikkaji Web:J2.380.716E
XlogP3-AA:3.90 (est)
Molecular Weight:222.37142000
Formula:C15 H26 O
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 293.00 to 294.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000179 mmHg @ 25.00 °C. (est)
Flash Point: 253.00 °F. TCC ( 122.78 °C. )
logP (o/w): 4.738 (est)
Soluble in:
 alcohol
 water, 11.98 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Palustrol
Coompo
For experimental / research use only.
Palustrol from Plants ≥96%
 
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
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for palustrol usage levels up to:
 not for fragrance use.
 
Recommendation for palustrol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :110745
National Institute of Allergy and Infectious Diseases:Data
1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
Chemidplus:0005986492
 
References:
 1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):110745
Pubchem (sid):135067289
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
FooDB:FDB007221
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 cajuput oil @ 0.1%
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 cassinia laevis flower oil australia @ 0.70%
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 cassinia laevis leaf oil australia @ 1.20%
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 cedrela wood oil @ 0.09%
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 cistus oil @ 1.2%
Data GC Search Trop Picture
 clove bud
Search Trop Picture
 clove fruit
Search Trop Picture
 clove leaf
Search Trop Picture
 eucalyptus globulus bicostata oil @ 0.12%
Data GC Search Trop Picture
 eucalyptus globulus bud oil @ 0.07%
Data GC Search Trop Picture
 eucalyptus globulus fruit oil @ 0.16%
Data GC Search Trop Picture
 eucalyptus globulus maidenii f. muell oil @ 0.16%
Data GC Search Trop Picture
 eucalyptus globulus oil @ 0.18%
Data GC Search Trop Picture
 laurel leaf oil turkey @ trace%
Data GC Search Trop Picture
 ledum palustre
Search Trop Picture
 manuka var. eximium oil australia @ 0.40%
Data GC Search Trop Picture
 sundacarpus amarus (blume) c.n. page leaf oil australia @ 0.10%
Data GC Search Trop Picture
 tea tree oil australia @ 0.06%
Data GC Search Trop Picture
 vassoura oil @ 0.60%
Data GC Search Trop Picture
 zanthoxylum bracchyacanthum l. leaf oil australia @ 0.60%
Data GC Search Trop Picture
 
Synonyms:
4aH-cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
(1aR- (1aalpha,4beta,4abeta, 7alpha,7abeta,7balpha))-decahydro-1,1,4,7-tetramethyl-4ah-cycloprop(e)azulen-4a-ol
(-)-palustrol
1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
1,1,4,7-tetramethyldecahydro-4ah-cyclopropa[e]azulen-4a-ol
 

Articles:

PubMed:Biomimetic synthesis of (+)-ledene, (+)-viridiflorol, (-)-palustrol, (+)-spathulenol, and psiguadial A, C, and D via the platform terpene (+)-bicyclogermacrene.
PubMed:Composition of the essential oil of the Rhododendron tomentosum Harmaja from Estonia.
PubMed:Composition of seed essential oils of Rhododendron tomentosum.
PubMed:Birch (Betula spp.) leaves adsorb and re-release volatiles specific to neighbouring plants--a mechanism for associational herbivore resistance?
PubMed:Evaluation of extracts and oils of tick-repellent plants from Sweden.
PubMed:The stereochemistry of ledol from Renealmia chrysotrycha: an NMR study.
PubMed:A New Norlupene from the Leaves of Melaleuca leucadendron
PubMed:Composition of essential oil of Ledum palustre.
 
Notes:
None found
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