(E)-rose oxide
(2R-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
 
Notes:
None found
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CAS Number: 4610-11-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 225-017-2
FDA UNII: 7G7H98N31J
Nikkaji Web: J297.847D
XlogP3-AA: 2.90 (est)
Molecular Weight: 154.25266000
Formula: C10 H18 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 195.00 to  197.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.551000 mmHg @ 25.00 °C. (est)
Flash Point: 152.00 °F. TCC ( 66.80 °C. ) (est)
logP (o/w): 3.126 (est)
Soluble in:
 alcohol
 water, 63.97 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:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for (E)-rose oxide 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 : 6432154
National Institute of Allergy and Infectious Diseases: Data
 (2R,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane
Chemidplus: 004610111
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References:
 (2R,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6432154
Pubchem (sid): 135063453
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
CHEBI: View
HMDB (The Human Metabolome Database): Search
FooDB: FDB006020
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
 cistus twig/leaf oil @ 0.1%
Data  GC  Search Trop  Picture
 elder black elder flower oil
Search Trop  Picture
 geranium leaf oil india @ 0.11%
Data  GC  Search Trop  Picture
 geranium oil africa @ 0.37%
Data  GC  Search Trop  Picture
 geranium oil bourbon @ 0.13%
Data  GC  Search Trop  Picture
 geranium oil bourbon @ 0.21%
Data  GC  Search Trop  Picture
 geranium oil china @ 0.64%
Data  GC  Search Trop  Picture
 geranium oil egypt @ 0.34%
Data  GC  Search Trop  Picture
 geranium oil morocco @ 0.38%
Data  GC  Search Trop  Picture
 geranium oil rwanda @ 0.11%
Data  GC  Search Trop  Picture
 geranium petiole oil india @ 0.08%
Data  GC  Search Trop  Picture
 geranium rose-scented oil cuba @ 4.50%
Data  GC  Search  PMC Picture
 geranium stem oil india @ 0.11%
Data  GC  Search Trop  Picture
 ginger rhizome
Search Trop  Picture
 labdanum oil @ 0.16%
Data  GC  Search Trop  Picture
 lemon balm shoot
Search Trop  Picture
 peppermint plant
Search Trop  Picture
 rose oil (rosa damascena) bulgaria @ 1.39%
Data  GC  Search Trop  Picture
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Synonyms:
(2R,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane
(E)-rose oxide
trans-rose oxide
(2R-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
 tetrahydromethyl methyl propenyl pyran
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Articles:
PubMed: Metabolism of (-)-cis- and (-)-trans-rose oxide by cytochrome P450 enzymes in human liver microsomes.
PubMed: Investigation of a Quantitative Method for the Analysis of Chiral Monoterpenes in White Wine by HS-SPME-MDGC-MS of Different Wine Matrices.
PubMed: Volatile compounds of Viola odorata absolutes: identification of odorant active markers to distinguish plants originating from France and Egypt.
PubMed: Generation of volatile compounds in litchi wine during winemaking and short-term bottle storage.
PubMed: Comparison of volatile profiles of nine litchi (Litchi chinensis Sonn.) cultivars from Southern China.
PubMed: Essential oil composition of three accessions of Dracocephalum heterophyllum Benth. cultivated at Palampur, India.
PubMed: Stereoselective formation of the varietal aroma compound rose oxide during alcoholic fermentation.
PubMed: Chemical composition and inhibitory activity of essential oil from decaying leaves of Eucalyptus citriodora.
PubMed: Enantioselective analysis of monoterpenes in different grape varieties during berry ripening using stir bar sorptive extraction- and solid phase extraction-enantioselective-multidimensional gas chromatography-mass spectrometry.
PubMed: Mandibular gland secretion of Melipona beecheii: chemistry and behavior.
PubMed: Biotransformation of (R)-(+)- and (S)-(-)-citronellol by Aspergillus sp. and Penicillium sp., and the use of solid-phase microextraction for screening.
PubMed: Conversion of citronellyl diphosphate and citronellyl beta-D-glucoside into rose oxide by Pelargonium graveolens.
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