5,7-Dimethoxycoumarin - ≥98% , CAS No.487-06-9

CAS: 487-06-9 Cat. No.: D120820 Peso molecular: 206.19 Número EC: 207-646-4
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
5,7-Dimethyloxy-2H-1-benzopyran-2-one | CAS-487-06-9 | COUMARIN, 5,7-DIMETHOXY- | NXJCRELRQHZBQA-UHFFFAOYSA-N | AI3-36094 | AQ-358/43417403 | CCG-40277 | SPBio_000707 | HY-N7085 | KBio2_003291 | MFCD00006870 | NINDS_000391 | NSC217987 | NSC-217987 | 2H-1-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
D120820-100mg
5
30,90US$
250mg
D120820-250mg
4
58,90US$
1g
D120820-1g
2
165,90US$
5g
D120820-5g
1
647,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Product description:

5,7-dimethoxycoumarin is isolated and identified from leaves and fruits of Pelea anisata H. Mann, a plant whose fruit are used in the construction of mohikana leis. It induces frameshift mutagenesis in bacteria. It also causes lethal photosensitization and the formation of sister chromatid exchanges in Chinese hamster cells.


Specifications

Sinónimos
5, 7-Dimethyloxy-2H-1-benzopyran-2-one | CAS-487-06-9 | COUMARIN, 5, 7-DIMETHOXY- | NXJCRELRQHZBQA-UHFFFAOYSA-N | AI3-36094 | AQ-358/43417403 | CCG-40277 | SPBio_000707 | HY-N7085 | KBio2_003291 | MFCD00006870 | NINDS_000391 | NSC217987 | NSC-217987 | 2H-1-
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
5, 7-Dimethoxycoumarin induces the processes of differentiation and melanogenesis in murine (B16) and human (A375)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488179723
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179723
Sonrisas canónicasCOC1=CC2=C(C=CC(=O)O2)C(=C1)OC
IUPAC Name5,7-dimethoxychromen-2-one
InChIKeyNXJCRELRQHZBQA-UHFFFAOYSA-N
INCHI1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
Isómeros SMILES COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
WGK Alemania 3
Peso molecular 206.19
Reaxy-Rn 187066
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=187066&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClaseCoumarins and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarins and derivatives
Alternative Parents 1-benzopyrans  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
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FTL Ferritin light chain (43324 Activities)
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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeFechaArticulo
B2625141Certificate of AnalysisJun 16, 2023 D120820
E2515026Certificate of AnalysisJun 16, 2023 D120820
F2312812Certificate of AnalysisJun 16, 2023 D120820
F2312824Certificate of AnalysisJun 16, 2023 D120820
F2312833Certificate of AnalysisJun 16, 2023 D120820
F2312834Certificate of AnalysisJun 16, 2023 D120820
F2312835Certificate of AnalysisJun 16, 2023 D120820
F2312836Certificate of AnalysisJun 16, 2023 D120820
F2312856Certificate of AnalysisJun 16, 2023 D120820
G2508064Certificate of AnalysisJun 16, 2023 D120820
G2508065Certificate of AnalysisJun 16, 2023 D120820
F2312826Certificate of AnalysisJun 15, 2023 D120820

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Propiedades químicas y físicas
Punto de fusión (°C)146-149°C
Peso molecular206.190 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass206.058 Da
Monoisotopic Mass206.058 Da
Topological Polar Surface Area44.800 Ų
Heavy Atom Count15
Formal Charge0
Complexity274.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Suo Lili, Hu Meihua.  (2023)  One-Step Synthesis of Polydopamine-Coated Dummy Molecularly Imprinted Polymers on the Surface of Fe3O4 for Selective Extraction and Enrichment of Aflatoxin B in Foods Prior to High-Performance Liquid Chromatography Detection.  JOURNAL OF ANALYTICAL CHEMISTRY,  78  (2): (213-221).  [PMID:] [10.1134/S1061934823020120]
2. Xiaopeng Hu, Ke Wang, Yufan Yang, Baomiao Ding, Chunqi Yu.  (2024)  Fluorescence/colorimetric sensor based on aptamers-molecular imprinted polymers synergistic recognition for ultrasensitive and interference-free detection of aflatoxin B1.  FOOD CHEMISTRY,      [PMID:39657487] [10.1016/j.foodchem.2024.142387]
3. Li-Hong Su, Hai-Long Qian, Cheng Yang, Chuanxi Wang, Zhenyu Wang, Xiu-Ping Yan.  (2024)  Integrating molecular imprinting into flexible covalent organic frameworks for selective recognition and efficient extraction of aflatoxins.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38359765] [10.1016/j.jhazmat.2024.133755]
4. Zhangmin Li, Zuopeng Li, Qianyi Li, Caiming Xiong, Chang-qing Miao, Bowen Zhu, Sanbing Zhang.  (2025)  Dual-centered MOF-on-MOF sensor assisted by molecularly imprinted polymer for rapid and sensitive detection of aflatoxin B1 with dual selectivity mechanism.  BIOSENSORS & BIOELECTRONICS,      [PMID:40902408] [10.1016/j.bios.2025.117933]
5. Ke Wang, Yingqi Wang, Jiayao Wang, Yiwei Liu, Xiaopeng Hu.  (2025)  Self-calibrating dual-signal sensor integrating aptamer-molecular imprinted polymers synergy for ratiometric fluorescence/colorimetric quantification of aflatoxin B1.  TALANTA,      [PMID:40961713] [10.1016/j.talanta.2025.128864]
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