EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ipomeamarone
2-pentanone, 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl- (8CI)

Supplier Sponsors

Name:1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
CAS Number: 20007-82-3Picture of molecule3D/inchi
Other(deleted CASRN):26767-94-2
FDA UNII: Search
Nikkaji Web:J113.260A
XlogP3-AA:2.30 (est)
Molecular Weight:250.33794000
Formula:C15 H22 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 343.63 °C. @ 760.00 mm Hg (est)
Flash Point: 323.00 °F. TCC ( 161.60 °C. ) (est)
logP (o/w): 3.744 (est)
Soluble in:
 water, 48.63 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-(5-furan-3-yl-2-methyloxolan-2-yl)-4-methylpentan-2-one
 
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
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for ipomeamarone usage levels up to:
 not for fragrance use.
 
Recommendation for ipomeamarone flavor usage levels up to:
 not for flavor use.
 
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 :99899
National Institute of Allergy and Infectious Diseases:Data
1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
Chemidplus:0020007823
 
References:
 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):99899
Pubchem (sid):135056486
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia: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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-2-pentanone
4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
 ngaione
2-pentanone, 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl- (8CI)
2-pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)- (9CI)
 

Articles:

PubMed:Synthetic organic chemistry based on small ring compounds.
PubMed:[Study of ceratocystis fimbriata toxins determination from sweet potato by high performance thin-layer chromatography].
PubMed:Merrekentrones A-D, ipomeamarone-like furanosesquiterpenes from Merremia kentrocaulos.
PubMed:Experimental intoxication by Myoporum laetum in sheep.
PubMed:[Determination of furanoterpenoid toxins from sweet potato by thin-layer chromatography].
PubMed:Ultraweak luminescence generated by sweet potato and Fusarium oxysporum interactions associated with a defense response.
PubMed:Properties of a Mixed Function Oxygenase Catalyzing Ipomeamarone 15-Hydroxylation in Microsomes from Cut-Injured and Ceratocystis fimbriata-Infected Sweet Potato Root Tissues.
PubMed:The effect of daily oral dosing with ngaione for 7 weeks on the liver of the rat.
PubMed:Ipomeamarone in blemished and diseased sweet potatoes (Ipomea batatas).
PubMed:The detection and quantitative determination of ipomeamarone in damaged sweet potatoes (Ipomoea batatas).
PubMed:Ipomeamarone, a toxic furanoterpenoid in sweet potatoes (Ipomea batatas) in the United Kingdom.
PubMed:A synthesis of racemic ipomeamarone and epiipomeamarone.
PubMed:Dehydroipomeamarone as an Intermediate in the Biosynthesis of Ipomeamarone, a Phytoalexin from Sweet Potato Root Infected with Ceratocystis fimbriata.
PubMed:BIOSYNTHESIS OF IPOMEAMARONE. II. SYNTHETIC MECHANISM.
PubMed:Biosynthesis of ipomeamarone. I. The incorporation of acetate-2-C14 and mevalonate-2-C14 into ipomeamarone.
PubMed:Analytical study of ipomeamarone & chlorogenic acid alterations in sweet potato roots infected by Ceratocystis fimbriata.
PubMed:Chromatographic isolation of pure ipomeamarone and reinvestigation on its chemical properties.
PubMed:Isolation of ipomeamarone and two coumarin derivatives from sweet potato roots injured by the weevil, Cylas formicarius elegantulus.
PubMed:Antibiotic Effect on Ceratostomella fimbriata of Ipomeamarone, an Abnormal Metabolite in Black Rot of Sweetpotato.
 
Notes:
found in moldy sweet potatoes & myoporum deserti.
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