perilla ketone
1-pentanone, 1-(3-furanyl)-4-methyl-
 
Notes:
potent lung toxin from perilla frutescens. Isol. from the essential oil of Perilla frutescens (perilla)
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CAS Number: 553-84-4Picture of molecule3D/inchi
FDA UNII: CV69S6Y94V
Nikkaji Web: J69.495I
Beilstein Number: 0114624
MDL: MFCD01939833
XlogP3: 2.80 (est)
Molecular Weight: 166.21998000
Formula: C10 H14 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 223.00 to  225.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.091000 mmHg @ 25.00 °C. (est)
Flash Point: 206.00 °F. TCC ( 96.67 °C. )
logP (o/w): 2.760
Soluble in:
 alcohol
 water, 281.5 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:
Santa Cruz Biotechnology
For experimental / research use only.
Perilla Ketone ≥98%
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Safety Information:
Preferred SDS: View
 
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:
intraperitoneal-rat LD50  10 mg/kg
Science. Vol. 197, Pg. 573, 1977.

intravenous-rabbit LD50  14 mg/kg
LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Journal of Animal Science. Vol. 60, Pg. 248, 1985.

intravenous-dog LD50  106 mg/kg
LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Journal of Animal Science. Vol. 60, Pg. 248, 1985.

intraperitoneal-hamster LD50  13700 ug/kg
LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Journal of Animal Science. Vol. 60, Pg. 248, 1985.

intraperitoneal-mouse LD50  2500 ug/kg
Science. Vol. 197, Pg. 573, 1977.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for perilla ketone usage levels up to:
 not for fragrance use.
 
Recommendation for perilla ketone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 68381
National Institute of Allergy and Infectious Diseases: Data
 1-furan-3-yl-4-methylpentan-1-one
Chemidplus: 0000553844
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References:
 1-furan-3-yl-4-methylpentan-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 68381
Pubchem (sid): 135025017
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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): HMDB35328
FooDB: FDB013998
Typical G.C.
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
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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
 patchouli oil china @ 0.02%
Data  GC  Search Trop  Picture
 perilla
Search Trop  Picture
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Synonyms:
1-furan-3-yl-4-methylpentan-1-one
1-(furan-3-yl)-4-methylpentan-1-one
1-(3-furanyl)-4-methyl-1-pentanone
b-furyl Isoamyl Ketone
beta-furyl isoamyl ketone
1-(3-furyl)-4-methyl-1-pentanone
1-(3-furyl)-4-methylpentan-1-one
1-pentanone, 1-(3-furanyl)-4-methyl-
1-pentanone, 1-(3-furyl)-4-methyl-
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Articles:
PubMed: Inhibition of Proinflammatory Cytokine Generation in Lung Inflammation by the Leaves of Perilla frutescens and Its Constituents.
PubMed: Analogues of perillaketone as highly potent agonists of TRPA1 channel.
PubMed: Bovine atypical interstitial pneumonia.
PubMed: Characteristic aroma-active compounds of Korean perilla (Perilla frutescens Britton) leaf.
PubMed: Determination of toxic perilla ketone, secondary plant metabolites and antioxidative capacity in five Perilla frutescens L. varieties.
PubMed: Taste-guided identification of high potency TRPA1 agonists from Perilla frutescens.
PubMed: Perilla frutescens var. frutescens in northern Laos.
PubMed: Compensated overexpression of procollagens alpha 1(I) and alpha 1(III) following perilla mint ketone-induced acute pulmonary damage in horses.
PubMed: Neutral and DEAE dextrans as tracers for assessing lung microvascular barrier permeability and integrity.
PubMed: Correlation between increased airway responsiveness and severity of pulmonary edema.
PubMed: Effect of pulmonary edema on tracheal diameter.
PubMed: Effect of cardiogenic and noncardiogenic pulmonary edema on histamine responsiveness in sheep.
PubMed: Reamed intramedullary femoral nailing after induction of an "ARDS-like" state in sheep: effect on clinically applicable markers of pulmonary function.
PubMed: Comparison of the pulmonary dysfunction caused by cardiogenic and noncardiogenic pulmonary edema.
PubMed: Evaluation of perilla ketone-induced unilateral lung injury using external gamma scanning.
PubMed: Perilla ketone increases endothelial cell monolayer permeability in vitro.
PubMed: Effects of Perilla ketone on the in situ sheep lung.
PubMed: The effects of selected bulky substituents on the pulmonary toxicity of 3-furyl ketones in mice.
PubMed: Morphology of noncardiogenic pulmonary edema induced by Perilla ketone in sheep.
PubMed: Acute bovine pulmonary emphysema caused by the fungus Fusarium semitectum.
PubMed: Perilla ketone: a model of increased pulmonary microvascular permeability pulmonary edema in sheep.
PubMed: The Essential Oil of Perilla ocimoides: A Rich Source of Rosefuran.
PubMed: Intoxication of cattle by Perilla frutescens (purple mint).
PubMed: An intestinal propulsion promoting substance from Perilla frutescens and its mechanism of action.
PubMed: Respiratory disease in adult cattle.
PubMed: Species susceptibility to the pulmonary toxicity of 3-furyl isoamyl ketone (perilla ketone): in vivo support for involvement of the lung monooxygenase system.
PubMed: Perilla ketone toxicity: a chemical model for the study of equine restrictive lung disease.
PubMed: Chemical-induced lung injury in domestic animals.
PubMed: Perilla ketone: a potent lung toxin from the mint plant, Perilla frutescens Britton.
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