humulene oxide I
(1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo(9.1.0)dodeca-4,7-diene
 
Notes:
Constit. of hops and wild ginger (Zingiber zerumbet)
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CAS Number: 19888-33-6Picture of molecule3D/inchi
XlogP3-AA: 3.90 (est)
Molecular Weight: 220.35548000
Formula: C15 H24 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 90.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 282.00 to  283.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 251.00 °F. TCC ( 121.67 °C. )
logP (o/w): 4.556 (est)
Soluble in:
 alcohol
 water, 0.6155 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
at 100.00 %. 
herbal
 
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 humulene oxide I usage levels up to:
 not for fragrance use.
 
Recommendation for humulene oxide I 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 : 5318103
National Institute of Allergy and Infectious Diseases: Data
 (4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
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References:
 (4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5318103
Pubchem (sid): 39292208
Flavornet: 19888-33-6
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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): HMDB38209
FooDB: FDB017451
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
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 angelica root oil @ 0.39%
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 basil plant
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 boronia absolute @ 0.03%
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 cassinia laevis flower oil australia @ 0.70%
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 cassinia laevis leaf oil australia @ 1.30%
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 cassis bud oil @ 0.00-0.52%
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 clove fruit
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 ginger rhizome
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 gingergrass oil @ 0.04%
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 hop
Search Trop  Picture
 laurel leaf oil turkey @ 0.10%
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 mastic fruit oil @ 0.41%
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 mastic leaf oil @ trace%
Data  GC  Search Trop  Picture
 oregano oil mexico @ 0.12%
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 orthodon dianthera maxim. oil vietnam @ 1.40%
Data  GC  Search Trop  Picture
 phoebe oil brazil @ 1.08%
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 plectranthus glandulosus hook f. leaf oil cameroon @ 0.10%
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 rosemary plant
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 sage oil albania @ 0.70%
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 sage oil cuba @ 2.21%
Data  GC  Search Trop  Picture
 sage oil dalmatian @ 0.80%
Data  GC  Search Trop  Picture
 sage oil england @ 0.40%
Data  GC  Search Trop  Picture
 sage oil reunion @ 0.30%
Data  GC  Search Trop  Picture
 salvia officinalis oil cuba @ 2.21%
Data  GC  Search Trop  Picture
 salvia sclarea seed oil tunisia @ 1.55%
Data  GC  Search Trop  Picture
 stachys recta l. oil serbia @ 3.80%
Data  GC  Search Trop  Picture
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Synonyms:
2,3-epoxy-6,9-humuladiene
 humulene epoxide
 humulene epoxide I
 humulene oxide
(1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo(9.1.0)dodeca-4,7-diene
(4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
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