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xanthoxyletin
2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-

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Name:5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one
CAS Number: 84-99-1Picture of molecule3D/inchi
FDA UNII: 69MPX4M5VD
Nikkaji Web:J9.335A
XlogP3-AA:2.80 (est)
Molecular Weight:258.27338000
Formula:C15 H14 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:toxic natural substances
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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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
Melting Point: 133.00 °C. @ 760.00 mm Hg
Boiling Point: 438.60 °C. @ 760.00 mm Hg (est)
Flash Point: 387.00 °F. TCC ( 197.20 °C. ) (est)
logP (o/w): 3.640 (est)
Soluble in:
 water, 40 mg/L @ 25 °C (exp)
 water, 35.21 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.
Xanthoxyletin 0.98
Odor: characteristic
Use: Xanthoxyletin isolated from Zanthoxylum.
 
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:
toxic natural substances
Recommendation for xanthoxyletin usage levels up to:
 not for fragrance use.
 
Recommendation for xanthoxyletin 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 :66548
National Institute of Allergy and Infectious Diseases:Data
5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one
Chemidplus:0000084991
 
References:
 5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):66548
Pubchem (sid):135024742
 
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):HMDB33931
FooDB:FDB012133
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 lemon root
Search Trop Picture
 mandarin root
Search Trop Picture
 orange root
Search Trop Picture
 orange root bark
Search Trop Picture
 zanthoxylum americanum
Search Trop Picture
 
Synonyms:
2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-
5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one
5-methoxy-8,8-dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one
5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
 xanthoxylin N
 

Articles:

PubMed:Vitiquinolone--a quinolone alkaloid from Hibiscus vitifolius Linn.
PubMed:Xanthoxyletin, a coumarin induces S phase arrest and apoptosis in human gastric adenocarcinoma SGC-7901 cells.
PubMed:Antimicrobial coumarins from the stem bark of Afraegle paniculata.
PubMed:Anti-HBV and cytotoxic activities of pyranocoumarin derivatives.
PubMed:Isolation of xanthyletin, an inhibitor of ants' symbiotic fungus, by high-speed counter-current chromatography.
PubMed:Chemical characterization of Citrus sinensis grafted on C. limonia and the effect of some isolated compounds on the growth of Xylella fastidiosa.
PubMed:Inhibitory effect of oxycoumarins isolated from the Thai medicinal plant Clausena guillauminii on the inflammation mediators, iNOS, TNF-alpha, and COX-2 expression in mouse macrophage RAW 264.7.
PubMed:[Studies on the coumarins in the root of Zanthoxylum dimorphophyllum].
PubMed:Separation and determination of coumarins in the root bark of three citrus plants by micellar electrokinetic capillary chromatography.
PubMed:Atom economy. Palladium-catalyzed formation of coumarins by addition of phenols and alkynoates via a net C-H insertion.
PubMed:Coumarins and carbazoles from Clausena excavata exhibited antimycobacterial and antifungal activities.
PubMed:Cytotoxic naphthoquinones and plumbagic acid glucosides from Plumbago zeylanica.
PubMed:Cytotoxic coumarins and lignans from extracts of the northern prickly ash (Zanthoxylum americanum).
PubMed:Allelochemicals fromPilocarpus goudotianus leaves.
PubMed:Antiplatelet actions of some coumarin compounds isolated from plant sources.
PubMed:Inhaltsstoffe aus Wurzelrinde und Stammholz von Afraegle paniculata1,2.
PubMed:Isolation of candicine chloride, laurifoline chloride, and xanthoxyletin from the bark of Zanthoxylum elephantiasis.
 
Notes:
Isol. from Zanthoxylum americanum (prickly ash)
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