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1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester, also known as Ethyl 2-oxo-1-cyclohexanecarboxylate, is a chemical compound with the molecular formula C10H16O4. It is an ester derived from the reaction of ethyl alcohol and 1-hydroxy-4-oxocyclohexaneacetic acid. This clear, colorless liquid is slightly soluble in water but highly soluble in organic solvents such as ethanol and ether. It serves as a versatile building block in organic chemistry and is commonly used in the synthesis of pharmaceuticals.

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  • 81053-18-1 Structure
  • Basic information

    1. Product Name: 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester
    2. Synonyms: 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester
    3. CAS NO:81053-18-1
    4. Molecular Formula: C10H16O4
    5. Molecular Weight: 200.23164
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 81053-18-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 313℃
    3. Flash Point: 119℃
    4. Appearance: /
    5. Density: 1.161
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester(81053-18-1)
    11. EPA Substance Registry System: 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester(81053-18-1)
  • 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: 81053-18-1(Hazardous Substances Data)

81053-18-1 Usage

Uses

Used in Pharmaceutical Synthesis:
1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the formation of complex organic molecules, contributing to the development of new drugs and therapies.
Used in Organic Chemistry:
As a building block in organic chemistry, 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester is used for the creation of diverse organic compounds, enabling the advancement of chemical research and the discovery of novel chemical entities.
Used in Organic Synthesis as a Reagent:
1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester is utilized as a reagent in organic synthesis, where it aids in the formation of desired products through various chemical reactions, enhancing the efficiency and selectivity of synthetic processes.
Used in the Food Industry as a Flavoring Agent:
1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester is employed as a flavoring agent in the food industry, leveraging its properties to impart or modify flavors in food products, thereby enriching the sensory experience for consumers.

Check Digit Verification of cas no

The CAS Registry Mumber 81053-18-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,0,5 and 3 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 81053-18:
(7*8)+(6*1)+(5*0)+(4*5)+(3*3)+(2*1)+(1*8)=101
101 % 10 = 1
So 81053-18-1 is a valid CAS Registry Number.

81053-18-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-(1-hydroxy-4-oxocyclohexyl)acetate

1.2 Other means of identification

Product number -
Other names 1-Hydroxy-4-oxocyclohexaneacetic acid ethyl 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:81053-18-1 SDS

81053-18-1Relevant articles and documents

Protection of the carbonyl group as 1,2,4-trioxane and its regeneration under basic conditions

Singh, Chandan,Malik, Heetika

, p. 5673 - 5676 (2007/10/03)

(Chemical Equation Presented) An experimental protocol demonstrating the protection of the carbonyl group as 1,2,4-trioxane, the stability of the protecting group under a variety of reaction conditions, and the regeneration of the carbonyl group with Triton B in THF at room temperature is presented. The method provides a useful alternative for the protection of carbonyl compounds having acid-sensitive moieties.

Chemoenzymatic synthesis of rengyoside-A, -B, isorengyoside and synthesis of their aglycones

Soriente, Annunziata,Della Rocca, Anna,Sodano, Guido,Trincone, Antonio

, p. 4693 - 4702 (2007/10/03)

The chemoenzymatic synthesis of a group of naturally occurring cyclohexylethanoids, rengyoside-A, -B and isorengyoside, has been performed by enzymatic glucosidation of their chemically synthesized aglycones, rengyol, rengyoxide and isorengyol.

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