Dihydrocoumarin - ≥99% , CAS No.119-84-6

CAS: 119-84-6 Cat. No.: D107582 Peso molecular: 148.16 Beilstein Registry Number: 17315 Número EC: 204-354-9

6 Citations COA

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Dihydrocoumarin - ≥99% CAS No(119-84-6) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥99%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Preguntas frecuentes y artículos Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

≥99% 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.

📋

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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid	488179537
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179537
Sonrisas canónicas	C1CC(=O)OC2=CC=CC=C21
IUPAC Name	3,4-dihydrochromen-2-one
InChIKey	VMUXSMXIQBNMGZ-UHFFFAOYSA-N
INCHI	1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
Isómeros SMILES	C1CC(=O)OC2=CC=CC=C21
WGK Alemania	3
RTECS	MW5775000
Peso molecular	148.16
Beilstein	17315
Reaxy-Rn	4584
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4584&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
  - Clase 3,4-dihydrocoumarins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Clase	3,4-dihydrocoumarins
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	3,4-dihydrocoumarins
Alternative Parents	1-benzopyrans Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors	an aromatic compound
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

Estructura 3D

Objetivos asociados (humanos)

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
G1809121	Certificate of Analysis	Feb 05, 2026	D107582
D2429201	Certificate of Analysis	Mar 25, 2024	D107582
D2429202	Certificate of Analysis	Mar 25, 2024	D107582
D2429203	Certificate of Analysis	Mar 25, 2024	D107582
K1520261	Certificate of Analysis	Aug 14, 2023	D107582
B2310241	Certificate of Analysis	Feb 14, 2023	D107582
B2310242	Certificate of Analysis	Oct 25, 2022	D107582
K2208395	Certificate of Analysis	Oct 25, 2022	D107582
K2208451	Certificate of Analysis	Oct 25, 2022	D107582

Punto de congelación (°C)	22 °C
Índice de refracción	1.556
Punto de inflamación (°F)	235.4 °F
Punto de inflamación (°C)	113 °C
Punto de ebullición (°C)	272 °C
Punto de fusión (°C)	24-25°C
Peso molecular	148.160 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	148.052 Da
Monoisotopic Mass	148.052 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165.000
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