7-Ethoxy-4-methylcoumarin - ≥95%(HPLC) , CAS No.87-05-8

Name: 7-Ethoxy-4-methylcoumarin - ≥95%(HPLC) , CAS No.87-05-8
Brand: Aladdin Scientific
SKU: E131554
Availability: InStock

CAS: 87-05-8 Cat. No.: E131554 Molecular Weight: 204.22 Beilstein Registry Number: 169998 EC Number: 201-721-5

COA

Skip to the end of the images gallery

7-Ethoxy-4-methylcoumarin - ≥95%(HPLC) CAS No(87-05-8) by Aladdin Scientific

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

GRADE & PURITY ≥95%(HPLC)

Synonyms

7-Ethoxy-4-methylcoumarin, suitable for fluorescence, >=90% (TLC) | DTXSID3058953 | FT-0621402 | ST060225 | SCHEMBL66273 | Madescol | EINECS 201-721-5 | 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl- | 7-Ethoxy-4-methylcoumarin, 98% | E0491 | AI3-08086 | D9053

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥95%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

Pubchem Sid	488183813
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183813
Canonical Smiles	CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C
IUPAC Name	7-ethoxy-4-methylchromen-2-one
InChIKey	NKRISXMDKXBVRJ-UHFFFAOYSA-N
INCHI	1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
Isomeric SMILES	CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C
Molecular Weight	204.22
Beilstein	169998
Reaxy-Rn	169998
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=169998&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

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	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	Not available
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
B2313213	Certificate of Analysis	Nov 18, 2024	E131554
B2313266	Certificate of Analysis	Nov 18, 2024	E131554
B2313413	Certificate of Analysis	Nov 06, 2024	E131554

Sensitivity	Light Sensitive
Melt Point(°C)	111 °C
Molecular Weight	204.220 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	204.079 Da
Monoisotopic Mass	204.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	283.000
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