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3,6-DIMETHYL-4-HYDROXYCOUMARIN, a derivative of coumarin with the molecular formula C11H10O3, is a chemical compound characterized by the presence of a hydroxyl group and two methyl groups attached to its core. Found in many plants, this versatile substance is known for its antioxidant and anti-inflammatory properties, making it a valuable component in the production of pharmaceuticals, fragrances, dyes, perfumes, and flavoring agents. Its potential therapeutic applications in treating cancer and inflammation-related disorders further highlight its significance in both industrial and medicinal fields.

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  • 118157-94-1 Structure
  • Basic information

    1. Product Name: 3,6-DIMETHYL-4-HYDROXYCOUMARIN
    2. Synonyms: 4-HYDROXY-3,6-DIMETHYL-CHROMEN-2-ONE;3,6-DIMETHYL-4-HYDROXYCOUMARIN;2H-1-Benzopyran-2-one, 4-hydroxy-3,6-diMethyl-
    3. CAS NO:118157-94-1
    4. Molecular Formula: C11H10O3
    5. Molecular Weight: 190.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 118157-94-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 361.3°C at 760 mmHg
    3. Flash Point: 161.8°C
    4. Appearance: /
    5. Density: 1.299g/cm3
    6. Vapor Pressure: 7.48E-06mmHg at 25°C
    7. Refractive Index: 1.612
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3,6-DIMETHYL-4-HYDROXYCOUMARIN(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3,6-DIMETHYL-4-HYDROXYCOUMARIN(118157-94-1)
    12. EPA Substance Registry System: 3,6-DIMETHYL-4-HYDROXYCOUMARIN(118157-94-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 118157-94-1(Hazardous Substances Data)

118157-94-1 Usage

Uses

Used in Pharmaceutical Industry:
3,6-DIMETHYL-4-HYDROXYCOUMARIN is used as an active pharmaceutical ingredient for its antioxidant and anti-inflammatory properties, contributing to the development of treatments for various diseases, including cancer and inflammation-related disorders.
Used in Fragrance Industry:
3,6-DIMETHYL-4-HYDROXYCOUMARIN is used as a fragrance ingredient due to its unique scent, enhancing the aroma of various perfumes and scented products.
Used in Dye Synthesis:
3,6-DIMETHYL-4-HYDROXYCOUMARIN is used as a key intermediate in the synthesis of dyes, contributing to the coloration of textiles, plastics, and other materials.
Used in Perfume Formulation:
3,6-DIMETHYL-4-HYDROXYCOUMARIN is used as a fixative in perfumes, helping to stabilize and prolong the scent of fragrances.
Used in Flavoring Agent Production:
3,6-DIMETHYL-4-HYDROXYCOUMARIN is used as a flavoring agent in the food and beverage industry, imparting unique taste profiles to various products.
Overall, 3,6-DIMETHYL-4-HYDROXYCOUMARIN's diverse applications across different industries underscore its importance as a versatile chemical compound with significant industrial and medicinal potential.

Check Digit Verification of cas no

The CAS Registry Mumber 118157-94-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,8,1,5 and 7 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 118157-94:
(8*1)+(7*1)+(6*8)+(5*1)+(4*5)+(3*7)+(2*9)+(1*4)=131
131 % 10 = 1
So 118157-94-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H10O3/c1-6-3-4-9-8(5-6)10(12)7(2)11(13)14-9/h3-5,12H,1-2H3

118157-94-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-hydroxy-3,6-dimethylchromen-2-one

1.2 Other means of identification

Product number -
Other names 2-hydroxy-3,6-dimethylchromen-4-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:118157-94-1 SDS

118157-94-1Downstream Products

118157-94-1Relevant articles and documents

Amine-controlled reduction of 2-aminochromone-3-carbaldehyde with Zn and acetic acid

Biswas, Pritam,Ghosh, Jaydip,Sarkar, Tapas,Bandyopadhyay, Chandrakanta

, p. 734 - 737 (2015)

On heating with zinc in acetic acid 2-(N-arylamino)chromone-3-carbaldehydes produce 2-(N-arylamino)-3-methylchromones, whereas 2-(N-alkylamino)chromone-3-carbaldehydes produce 4-hydroxy-3-methylcoumarin in moderate yields. Reduction of an aldehyde functio

Synthesis of coumarins, 4-hydroxycoumarins, and 4-hydroxyquinolinones by tellurium-triggered cyclizations

Dittmer, Donald C.,Li, Qun,Avilov, Dimitry V.

, p. 4682 - 4686 (2007/10/03)

Coumarins, 4-hydroxycoumarins, and 4-hydroxyquinolin-2(1H)-ones can be conveniently prepared by treatment of α-halocarboxylic acid esters of salicylaldehyde, o-hydroxyacetophenone, methyl salicylate, and methyl N-methyl- or N-phenylanthranilates with sodium or lithium telluride. Phenylketene formation competes with cyclization of the α-chlorophenylacetate ester of methyl salicylate as demonstrated by a trapping experiment with benzylamine. Elemental tellurium may be recovered and reused.

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