7-Methoxycoumarin - ≥98% , CAS No.531-59-9

Name: 7-Methoxycoumarin - ≥98% , CAS No.531-59-9
SKU: M158657
Availability: InStock

CAS: 531-59-9 Cat. No.: M158657 分子式: C₁₀H₈O₃ 分子量: 176.17 Beilstein Registry Number: 141728 EC番号: 208-513-3

1 Citations COA

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7-Methoxycoumarin - ≥98% CAS No(531-59-9) by Aladdin Scientific

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注文可能

GRADE & PURITY ≥98%

Synonyms

7-Methoxy Coumarin | KBio2_003440 | Methyl umbelliferyl ether | BRD-K81209159-001-02-9 | HY-N1366 | Q3408685 | 7-METHOXYCOUMARIN (CONSTITUENT OF CHAMOMILE) [DSC] | S5163 | SY048641 | 7-Methyl ether derivative of Umbelliferone | BRN 0141728 | SCHEMBL61221

Storage

Room temperature

Shipped In

Normal

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質よくある質問と記事 Citations of This Product ソリューション計算機レビュー

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Why this grade

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

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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.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

7-Methoxycoumarin is one of the main volatile odorant found in key lime essential oil and tarragon leaves.

Specifications

同義語

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504751998

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751998

カノニカル・スマイル

COC1=CC2=C(C=C1)C=CC(=O)O2

IUPAC Name

7-methoxychromen-2-one

InChIKey

LIIALPBMIOVAHH-UHFFFAOYSA-N

INCHI

1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3

異性体SMILES

COC1=CC2=C(C=C1)C=CC(=O)O2

WGKドイツ

RTECS

DJ3100380

分子量

176.17

Beilstein

141728

Reaxy-Rn

141728

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141728&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 分類 Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
分類	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic 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
説明	This 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	coumarins
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

関連ターゲット（人間）

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

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AKR1B1 Tclin Aldose reductase (1404 Activities)

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CA3 Tclin Carbonic anhydrase III (753 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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SORD Tchem Sorbitol dehydrogenase (133 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Raji (5516 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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XPO1 Tclin Exportin-1 (375 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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関連ターゲット（非人間）

Ca7 Carbonic anhydrase VII (3 Activities)

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Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

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Ca13 Carbonic anhydrase XIII (322 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)

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Artemia salina (1320 Activities)

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Salmonella typhimurium (15756 Activities)

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Entamoeba histolytica (2676 Activities)

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Fusarium oxysporum (3998 Activities)

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Botrytis cinerea (4183 Activities)

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RAW264.7 (28094 Activities)

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V79 (1637 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Colletotrichum fragariae (147 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Coptotermes formosanus (677 Activities)

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Oryzias latipes (115 Activities)

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Mbp Myelin basic protein (42 Activities)

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Colletotrichum acutatum (300 Activities)

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作用メカニズム

証明書（CoA、COO、BSE/TSEと分析図）

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.

10 results found

Lot Number	Certificate Type	日付	商品
B2627105	Certificate of Analysis	Mar 06, 2026	M158657
C2223524	Certificate of Analysis	Jan 19, 2026	M158657
C2223529	Certificate of Analysis	Jan 19, 2026	M158657
C1826061	Certificate of Analysis	Oct 14, 2025	M158657
K2105013	Certificate of Analysis	Aug 12, 2025	M158657
J2311165	Certificate of Analysis	Sep 12, 2023	M158657
J2311166	Certificate of Analysis	Sep 12, 2023	M158657
J2311167	Certificate of Analysis	Sep 12, 2023	M158657
J2528209	Certificate of Analysis	Sep 12, 2023	M158657
C2223522	Certificate of Analysis	Feb 28, 2022	M158657

化学的性質と物理的性質

溶解度	Insoluble in water.
融点（°C）	118 °C
分子量	176.170 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.047 Da
Monoisotopic Mass	176.047 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	234.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

よくある質問と記事

Coumarins at a Glance: Structural Classification, Key Properties, and Experimental Selection (Tables 1–3)

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Coumarin

Coumarin Core and Simple Coumarins: Substitution Patterns, Electronic Effects, and Physicochemical Behavior

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Coumarin

Analytical Detection and Identification of Coumarins: Structural Differences, Spectral Responses, and Chromatographic Separation

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Coumarins

Citations of This Product

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7-Methoxycoumarin - ≥98% , CAS No.531-59-9

Storage & shipping

Quality documents

Literature proof

概要

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

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📚 Citations by Application

関連商品

7-Methoxycoumarin - ≥98% , CAS No.531-59-9

Storage & shipping

Quality documents

Literature proof

概要

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

顧客レビュー

📚 Citations by Application

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