trans-piperitone oxide
7-oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)-, (1S,3R,6S)-
 
Notes:
None found
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CAS Number: 4713-37-5Picture of molecule3D/inchi
FDA UNII: 5C00Z18S5M
Nikkaji Web: J487.291F
XlogP3-AA: 1.80 (est)
Molecular Weight: 168.23592000
Formula: C10 H16 O2
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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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 235.00 to  236.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.050000 mmHg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 90.90 °C. ) (est)
logP (o/w): 1.272 (est)
Soluble in:
 alcohol
 water, 213.5 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 trans-piperitone oxide usage levels up to:
 not for fragrance use.
 
Recommendation for trans-piperitone oxide 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 : 6430800
National Institute of Allergy and Infectious Diseases: Data
 (1S,3R,6S)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
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References:
 (1S,3R,6S)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6430800
Pubchem (sid): 10547417
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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
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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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 plectranthus glandulosus hook f. leaf oil cameroon @ 0.50%
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 plectranthus tenuiflorus
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Synonyms:
(1S,3R,6S)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
7-oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)-, (1S,3R,6S)-
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