(E)-beta-ionone epoxide
3-buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-, (E)-
 
Notes:
None found
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CAS Number: 36340-49-5Picture of molecule3D/inchi
FDA UNII: KAT5VL2Y08
Nikkaji Web: J183.661G
XlogP3-AA: 2.00 (est)
Molecular Weight: 208.30080000
Formula: C13 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: white to pale yellow crystalline solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 275.00 to  276.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 103.70 °C. ) (est)
logP (o/w): 1.864 (est)
Soluble in:
 alcohol
 water, 123.6 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
beta-ionone epoxide
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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 (E)-beta-ionone epoxide usage levels up to:
 not for fragrance use.
 
Recommendation for (E)-beta-ionone epoxide 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 : 5352481
National Institute of Allergy and Infectious Diseases: Data
 (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
Chemidplus: 0036340495
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References:
 (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5352481
Pubchem (sid): 135125177
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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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
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:
 ambergrisFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
3-buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-, (E)-
(E)-4-(1,2-epoxy-2,6,6-trimethylcyclohexan-1-yl)-3-buten-2-one
5,6-epoxy-b-ionone
(E)-5,6-epoxy-beta-ionone
5,6-beta-epoxyionone
b-ionon-5,6-epoxide
beta-ionon-5,6-epoxide
(E)-4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-buten-2-one
(E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
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