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

CAS: 119-84-6 Cat. No.: D107582 Molecular Weight: 148.16 Beilstein Registry Number: 17315 EC Number: 204-354-9

6 Citations COA

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

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AVAILABLE TO ORDER

GRADE & PURITY ≥99%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

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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

Synonyms

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid	488179537
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179537
Canonical Smiles	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
Isomeric SMILES	C1CC(=O)OC2=CC=CC=C21
WGK Germany	3
RTECS	MW5775000
Molecular Weight	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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class 3,4-dihydrocoumarins

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	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
Description	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

3D Structure

Associated Targets(Human)

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	Date	Item
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

Freezing Point(°C)	22 °C
Refractive Index	1.556
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	272 °C
Melt Point(°C)	24-25°C
Molecular Weight	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