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

irone
3-buten-2-one, 4-(2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl)-

Supplier Sponsors

Name:4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
CAS Number: 54992-91-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:259-427-8
FDA UNII: Search
XlogP3-AA:3.20 (est)
Molecular Weight:206.32854000
Formula:C14 H22 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
 
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
Perfumer and Flavorist: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: 293.00 to 295.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 261.00 °F. TCC ( 127.10 °C. ) (est)
logP (o/w): 4.125 (est)
Soluble in:
 alcohol
 water, 2.98 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Vigon International
IRONE ALPHA (FIRMENICH)
 
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:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for irone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):54992-91-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101539
National Institute of Allergy and Infectious Diseases:Data
4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
Chemidplus:0054992915
 
References:
 4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):101539
Pubchem (sid):135065398
 
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
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-buten-2-one, 4-(2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl)-
4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one
4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
 

Articles:

US Patents:5,113,021 - Process for the manufacture of a mixture of .alpha.- and .beta.-irone
PubMed:New constituents from the rhizomes of Egyptian Iris germanica L.
PubMed:An alternative method for irones quantification in iris rhizomes using headspace solid-phase microextraction.
PubMed:Applications of biocatalysis in fragrance chemistry: the enantiomers of alpha-, beta-, and gamma-irones.
PubMed:Fragrance material review on alpha-irone.
PubMed:[The process study on the extraction of irone by supercritical fuilds extraction].
PubMed:Cloning and characterization of an iron regulated locus, iroA, in Salmonella enterica serovar Choleraesuis.
PubMed:A pilot study of coupled plasma filtration with adsorption in septic shock.
PubMed:Assessment of adequacy of ICU admission.
PubMed:Coupled plasma filtration adsorption in the treatment of septic shock.
PubMed:Bioethical issues related to continuous renal replacement therapy in intensive care patients.
PubMed:A short and efficient enantiospecific synthesis of (+)-(2R, 6S)-cis-gamma-irone via a highly diastereoselective protonation.
PubMed:Use of adsorptive mechanisms in continuous renal replacement therapies in the critically ill.
PubMed:Cellulose triacetate: another membrane for continuous renal replacement therapy.
PubMed:Continuous renal replacement therapy in patients with HELLP syndrome.
PubMed:Present and future options in continuous renal replacement therapies of sepsis and MOF.
PubMed:Extracorporeal membrane oxygenation in emergency resuscitation from deep hypothermia.
PubMed:Evaluation of a portable prototype to analyze heart rate variability.
PubMed:[Usefulness of heart rate variability (HRV) in the monitoring of patients with severe brain lesions].
PubMed:Heart rate variability and severe brain damage: preliminary data.
PubMed:Neurophysiological effects of diisopropylphenol evaluated with somatosensory and motor evoked potentials.
PubMed:[Propofol in single bolus for treatment of elevated intracranial hypertension].
PubMed:[Hypnosis in preparation of pregnant women for labor].
PubMed:[ARE YOU IN FAVOR OF OR AGAINST FULL-TIME TEACHING IN UNIVERSITIES?].
PubMed:[ON A NEW METHOD FOR DEMONSTRATING THE BABINSKI PHENOMENON IN PYRAMIDAL SYNDROMES].
PubMed:[Senile acrophlebectasia].
PubMed:[Rheographic observations in the course of treatment with monoamine oxidase inhibitors in diabetic vasculopathy].
PubMed:[On the lingual localization of Bateman's senile purpura].
PubMed:NEW synthesis of the irone odour.
PubMed:[Not Available].
PubMed:[Not Available].
PubMed:[Not Available].
PubMed:[Not Available].
PubMed:[Not Available].
PubMed:[Not Available].
PubMed:[Not Available].
 
Notes:
None found
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