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4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER is a chemical compound with the molecular formula C9H10O4. It is an ester derivative of 4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID, a naturally occurring compound found in various plant species. This ester is characterized by its sweet, fruity aroma and possesses antioxidant and anti-inflammatory properties, making it a versatile compound with potential applications in various industries.

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  • 61874-04-2 Structure
  • Basic information

    1. Product Name: 4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER
    2. Synonyms: 4-HYDROXY-3-FORMYL-PHENYLACETIC ACID METHYL ESTER;4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER;METHYL 3-FORMYL-4-HYDROXY PHENYL ACETATE;methyl 2-(3-formyl-4-hydroxyphenyl)acetate;3-Formyl-4-hydroxyphenylacetic acid methyl ester;Ethyl 2-(3-formyl-4-hydroxyphenyl)acetate
    3. CAS NO:61874-04-2
    4. Molecular Formula: C10H10O4
    5. Molecular Weight: 194.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 61874-04-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 300.2 °C at 760 mmHg
    3. Flash Point: 116.6 °C
    4. Appearance: /
    5. Density: 1.274 g/cm3
    6. Vapor Pressure: 0.000637mmHg at 25°C
    7. Refractive Index: 1.582
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 7.98±0.18(Predicted)
    11. CAS DataBase Reference: 4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER(61874-04-2)
    13. EPA Substance Registry System: 4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER(61874-04-2)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 61874-04-2(Hazardous Substances Data)

61874-04-2 Usage

Uses

Used in Fragrance and Flavor Industry:
4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER is used as a flavoring agent in food and beverages for its sweet, fruity aroma, enhancing the taste and aroma profile of various products.
Used in Pharmaceutical Synthesis:
4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER is used as an intermediate in the synthesis of pharmaceuticals due to its unique chemical structure and properties, contributing to the development of new drugs with potential therapeutic benefits.
Used in Agricultural Products:
4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER is used in the development of agricultural products, such as pesticides and fertilizers, leveraging its chemical properties to improve crop yield and protect plants from diseases.
Used in Medicinal Applications:
4-HYDROXY-3-CARBOXALDEHYDEACETIC ACID METHYL ESTER is used as a potential candidate for medicinal applications due to its antioxidant and anti-inflammatory properties, which may contribute to the treatment of various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 61874-04-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,8,7 and 4 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 61874-04:
(7*6)+(6*1)+(5*8)+(4*7)+(3*4)+(2*0)+(1*4)=132
132 % 10 = 2
So 61874-04-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O4/c1-14-10(13)5-7-2-3-9(12)8(4-7)6-11/h2-4,6,12H,5H2,1H3

61874-04-2SDS

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 methyl 2-(3-formyl-4-hydroxyphenyl)acetate

1.2 Other means of identification

Product number -
Other names 4-HYDROXY-3-FORMYL-PHENYLACETIC ACID METHYL ESTER

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:61874-04-2 SDS

61874-04-2Relevant articles and documents

MITOCHONDRIA-TARGETED ISOKETAL/ISOLEVUGLANDIN SCAVENGERS AND USES THEREOF

-

Paragraph 0062, (2021/08/06)

The use of novel 2-hydroxybenzylamine derivatives as scavengers of isolevuglandins.

Phosphine-catalyzed sequential (2+3)/(2+4) annulation of γ-vinyl allenoates: Access to the synthesis of chromeno[4,3-: B] pyrroles

Huang, You,Li, Xiaohu

supporting information, p. 9934 - 9937 (2021/10/12)

A phosphine-catalyzed cascade (2+3)/(2+4) cyclization reaction of γ-vinyl allenoates with aldimine esters has been developed to provide a series of chromeno[4,3-b]pyrrole derivatives that contain three contiguous stereogenic centers. The method gives a good yield, excellent chemoselectivity and diastereoselectivity under mild conditions.

NEW COMPOUNDS AND USES THEREOF FOR DETECTION OF TARGET MOLECULES IN A SAMPLE

-

Page/Page column 46; 47, (2018/04/27)

The present invention relates to new profluorophores and conjugates thereof and their use for the detection of target molecule in a sample, in particular nucleic acid target molecules. The invention relates to new profluorophores and new fluorophores and methods of use thereof particularly useful in the fields of diagnostics and quality control.

Identification of a New Class of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitors Followed by a Structure-Activity Relationship Study

Hansen, Stinne W.,Erichsen, Mette N.,Fu, Bingru,Bj?rn-Yoshimoto, Walden E.,Abrahamsen, Bjarke,Hansen, Jacob C.,Jensen, Anders A.,Bunch, Lennart

, p. 8757 - 8770 (2016/10/22)

Screening of a small compound library at the three excitatory amino acid transporter subtypes 1-3 (EAAT1-3) resulted in the identification of compound (Z)-4-chloro-3-(5-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic aci

FACTOR VIIA INHIBITOR

-

Paragraph 0176, (2014/04/03)

The present invention relates to novel inhibitors of Factors VIIa, IXa, Xa, XIa, in particular Factor VIIa, pharmaceutical compositions comprising these inhibitors, and methods for using these inhibitors for treating or preventing thromboembolic disorders, cancer or rheumatoid arthritis. Processes for preparing these inhibitors are also disclosed.

LIQUID PHARMACEUTICAL COMPOSITION OF FACTOR VII POLYPEPTIDE

-

Page/Page column 39; 40, (2014/05/07)

The invention concerns a liquid pharmaceutical composition comprising: A Factor VIIa polypeptide; A buffering agent suitable for keeping pH in the range of from about 5.5 to about 8.5; and An active site stabilizing agent, which is a compound exhibiting a

COMPOUNDS AND METHODS

-

Page/Page column 82, (2013/03/26)

The present invention relates to novel retinoid-related orphan receptor gamma (RORγ) modulators and their use in the treatment of diseases mediated by RORy.

COMPOUNDS AND METHODS

-

Page/Page column 24, (2013/03/26)

The present invention relates to no vel retinoid-related orphan receptor gamma (RQRy) modulators and their use in the treatment of diseases mediated by RORy.

The development of benzimidazoles as selective rho kinase inhibitors

Sessions, E. Hampton,Smolinski, Michael,Wang, Bo,Frackowiak, Bozena,Chowdhury, Sarwat,Yin, Yan,Chen, Yen Ting,Ruiz, Claudia,Lin, Li,Pocas, Jennifer,Schr?ter, Thomas,Cameron, Michael D.,LoGrasso, Philip,Feng, Yangbo,Bannister, Thomas D.

scheme or table, p. 1939 - 1943 (2010/09/03)

Rho Kinase (ROCK) is a serine/threonine kinase whose inhibition could prove beneficial in numerous therapeutic areas. We have developed a promising class of ATP-competitive inhibitors based upon a benzimidazole scaffold, which show excellent potency toward ROCK (IC50 10 nM). This report details the optimization of selectivity for ROCK over other related kinases such as Protein kinase A (PKA).

(Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors

-

Page/Page column 80, (2010/02/11)

The present invention provides novel compounds of the Formula (I): A-B, its prodrug forms, or pharmaceutically acceptable salts thereof, wherein A represents a saturated, unsaturated, or a partially unsaturated bicyclic heterocyclic ring structure, and B represents an aryl or a heteroaryl group. Preferred compounds of the present invention comprise a benzimidazole or indole nucleus. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals.

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