5-methyl-2-octyl-3(2H)-furanone
furan-3-one, 2,3-dihydro-5-methyl-2-octyl-
 
Notes:
Constit. of Allium cepa (shallot) flavour and other Allium spp.
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CAS Number: 57877-72-2Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J2.377.136E
XlogP3-AA: 4.40 (est)
Molecular Weight: 210.31674000
Formula: C13 H22 O2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 300.00 to  301.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 243.00 °F. TCC ( 117.00 °C. ) (est)
logP (o/w): 3.169 (est)
Soluble in:
 alcohol
 water, 19.43 mg/L @ 25 °C (est)
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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 5-methyl-2-octyl-3(2H)-furanone usage levels up to:
 not for fragrance use.
 
Recommendation for 5-methyl-2-octyl-3(2H)-furanone 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 : 529383
National Institute of Allergy and Infectious Diseases: Data
 5-methyl-2-octylfuran-3-one
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References:
 5-methyl-2-octylfuran-3-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 529383
Pubchem (sid): 53490947
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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): HMDB32098
FooDB: FDB008816
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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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
 allium fistulosum oil cuba @ 0.60%
Data  GC  Search Trop  Picture
 onion bulb
Search Trop  Picture
 shallot
Search Trop  Picture
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Synonyms:
 furan-3-one, 2,3-dihydro-5-methyl-2-octyl-
3(2H)-furanone, 5-methyl-2-octyl-
5-methyl-2-octylfuran-3-one
5-methyl-2-octylfuran-3(2H)-one
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