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

2H-1-benzopyran-2-one, 5, 7-dimethoxy-

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CAS Number: 487-06-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-646-4
Nikkaji Web:J6.016J
Beilstein Number:0187066
XlogP3-AA:1.90 (est)
Molecular Weight:206.19750000
Formula:C11 H10 O4
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
Physical Properties:
Appearance:colorless crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 146.00 to 147.00 °C. @ 760.00 mm Hg
Boiling Point: 388.14 °C. @ 760.00 mm Hg (est)
Flash Point: 349.00 °F. TCC ( 176.30 °C. ) (est)
logP (o/w): 1.891 (est)
Soluble in:
 water, 1510 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Alfa Biotechnology
For experimental / research use only.
Citropten 98%
Anhui Haibei
5,7-Dimethoxy Coumarin
Odor: Powerful lemon-like
BOC Sciences
For experimental / research use only.
5,7-Citropten >98%
Odor: characteristic
Use: Citropten is a coumarin compound found in the peel of Citrus medica L.
For experimental / research use only.
Citropten (HPLC) ≥99%
Penta International
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
5,7-Dimethoxycoumarin 98%
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
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:
natural substances and extractives
Recommendation for 5,7-dimethoxycoumarin usage levels up to:
 not for fragrance use.
Recommendation for 5,7-dimethoxycoumarin flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :2775
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:GN6530000 for cas# 487-06-9
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):2775
Pubchem (sid):134975689
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):HMDB32952
Export Tariff Code:2932.29.3000
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 bergamot oil
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 lemon fruit oil
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 lemon oil
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 lemon shoot
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 lime fruit
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 lime oil
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2H-1-benzopyran-2-one, 5, 7-dimethoxy-
 coumarin, 5,7-dimethoxy-


PubMed:Coumarins from Edgeworthia chrysantha.
PubMed:Analysis of Fluorescence Quenching of Coumarin Derivatives by 4-Hydroxy-TEMPO in Aqueous Solution.
PubMed:Simultaneous determination of 12 coumarins in bamboo leaves by HPLC.
PubMed:5-Geranyloxy-7-methoxycoumarin inhibits colon cancer (SW480) cells growth by inducing apoptosis.
PubMed:Evaluation of melanogenesis in A-375 melanoma cells treated with 5,7-dimethoxycoumarin and valproic acid.
PubMed:Chemical composition of hexane extract of Citrus aurantifolia and anti-Mycobacterium tuberculosis activity of some of its constituents.
PubMed:Synthesis and cytotoxic activity of non-naturally substituted 4-oxycoumarin derivatives.
PubMed:Toddaculin, a natural coumarin from Toddalia asiatica, induces differentiation and apoptosis in U-937 leukemic cells.
PubMed:Synthesis of (±)-8-deisopropyladunctin B.
PubMed:In vitro photo-induced cytotoxic activity of Citrus bergamia and C. medica L. cv. Diamante peel essential oils and identified active coumarins.
PubMed:New geranyloxycoumarins from Toddalia asiatica.
PubMed:[Chemical constituents of Lobelia chinensis].
PubMed:Limettin and furocoumarins in beverages containing citrus juices or extracts.
PubMed:Relative photomutagenicity of furocoumarins and limettin in the hypoxanthine phosphoribosyl transferase assay in V79 cells.
PubMed:Inhibition of Mek 1/2 kinase activity and stimulation of melanogenesis by 5,7-dimethoxycoumarin treatment of melanoma cells.
PubMed:Characterization of Phaseolus vulgaris L. landraces cultivated in central Italy.
PubMed:New constituents of Artemisia monosperma Del.
PubMed:The structure-activity relationship between oxycoumarin derivatives showing inhibitory effects on iNOS in mouse macrophage RAW264.7 cells.
PubMed:Cell cycle arrest and differentiation induction by 5,7-dimethoxycoumarin in melanoma cell lines.
PubMed:Simultaneous determination of urinary metabolites of methoxypsoralens in human and Umbelliferae medicines by high-performance liquid chromatography.
PubMed:Toxic effects of lemon peel constituents on Ceratitis capitata.
PubMed:Degradation of flavonoid aglycones by rabbit, rat and human fecal flora.
PubMed:Earl Grey tea intoxication.
PubMed:Isolation and structure elucidation of a new prenylcoumarin from Murraya paniculata var. omphalocarpa (Rutaceae).
PubMed:Coumarin-related compounds as plant growth inhibitors from two rutaceous plants in Thailand.
PubMed:Isolation And Structure Elucidation Of 5,7-disubstituted Simple Coumarins In The Fruits Of Heracleum Mantegazzianum.
PubMed:Antibacterial activity of extracts and constituents of Pelargonium sidoides and Pelargonium reniforme.
PubMed:Synthesis of toddacoumaquinone, a coumarin-naphthoquinone dimer, and its antiviral activities.
PubMed:Rapid identification of some coumarin derivatives in deterpenated citrus peel oil by gas chromatography.
PubMed:Effect of occlusion on in vitro percutaneous absorption of two compounds with different physicochemical properties.
PubMed:[Studies on the chemical constituents of Rutaceae++ plants. LXVI. The chemical constituents of Toddalia asiatica (L.) Lam. (T. aculeata Pers.). (1). Chemical constituents of the root bark].
PubMed:High-performance liquid chromatographic determination of citropten and bergapten in suction blister fluid after solar product application in humans.
PubMed:Citropten and bergapten suction blister fluid concentrations after solar product application in man.
PubMed:Isolation and characterization of the photoadducts of 5,7-dimethoxycoumarin and adenosine.
PubMed:Identification of psoralen, 8-methoxypsoralen, isopimpinellin, and 5,7-dimethoxycoumarin in Pelea anisata H. Mann.
PubMed:The photobinding of 5,7-dimethoxycoumarin to adenovirus type-2 DNA. A method for in vitro mutagenesis.
PubMed:Photobiological activity of 5,7-dimethoxycoumarin.
PubMed:A pulse radiolysis study of the complexing of furocoumarins with DNA and proteins.
PubMed:Photobinding of 8-methoxypsoralen and 5,7-dimethoxycoumarin to DNA and its effect on template activity.
has photobiological activity. Found in lime and bergamot oils
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