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Ethyl 4,4-diethoxy-3-oxobutanoate, also known as ethyl acetoacetate, is a chemical compound with the molecular formula C11H20O5. It is a colorless liquid with a fruity odor and is soluble in alcohol and ether. ethyl 4,4-diethoxy-3-oxobutanoate is commonly used as a flavoring agent and fragrance ingredient in the food and cosmetic industry.

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  • 10495-09-7 Structure
  • Basic information

    1. Product Name: ethyl 4,4-diethoxy-3-oxobutanoate
    2. Synonyms: ethyl 4,4-diethoxy-3-oxobutanoate;Butanoic acid, 4,4-diethoxy-3-oxo-, ethyl ester;4,4-Diethoxy-3-oxo-butyricacidethylester;Ethyl 4,4-bis(ethyloxy)-3-oxobutanoate
    3. CAS NO:10495-09-7
    4. Molecular Formula: C10H18O5
    5. Molecular Weight: 218.24692
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 10495-09-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 112 °C(Press: 4-6 Torr)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.052±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 9.58±0.46(Predicted)
    10. CAS DataBase Reference: ethyl 4,4-diethoxy-3-oxobutanoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: ethyl 4,4-diethoxy-3-oxobutanoate(10495-09-7)
    12. EPA Substance Registry System: ethyl 4,4-diethoxy-3-oxobutanoate(10495-09-7)
  • 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: 10495-09-7(Hazardous Substances Data)

10495-09-7 Usage

Uses

Used in Food Industry:
Ethyl 4,4-diethoxy-3-oxobutanoate is used as a flavoring agent for its fruity odor, enhancing the taste and aroma of various food products.
Used in Cosmetic Industry:
In the cosmetic industry, ethyl 4,4-diethoxy-3-oxobutanoate is used as a fragrance ingredient, adding a pleasant scent to various cosmetic products.
Used in Pharmaceutical Industry:
Ethyl 4,4-diethoxy-3-oxobutanoate is used as a precursor in the synthesis of various pharmaceuticals, contributing to the development of new medications.
Used in Agrochemical Industry:
ethyl 4,4-diethoxy-3-oxobutanoate is also used as a precursor in the synthesis of agrochemicals, playing a role in the production of various agricultural chemicals.
Safety Considerations:
Ethyl 4,4-diethoxy-3-oxobutanoate is considered relatively safe when handled properly. However, it can be harmful if ingested or inhaled in large quantities, necessitating proper handling and storage measures.

Check Digit Verification of cas no

The CAS Registry Mumber 10495-09-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,4,9 and 5 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 10495-09:
(7*1)+(6*0)+(5*4)+(4*9)+(3*5)+(2*0)+(1*9)=87
87 % 10 = 7
So 10495-09-7 is a valid CAS Registry Number.

10495-09-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 4,4-diethoxy-3-oxobutanoate

1.2 Other means of identification

Product number -
Other names 4,4-diethoxy-acetoacetic 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:10495-09-7 SDS

10495-09-7Relevant articles and documents

The disubstitution of acetals to prepare δ,δ-Bis(aryl) β-keto esters

Priebbenow, Daniel L.,Zou, Liang-Hua,Becker, Peter,Bolm, Carsten

, p. 3965 - 3969 (2013)

An efficient catalytic protocol for the synthesis of δ,δ- bis(aryl)-substituted β-keto esters has been developed. This method involves the Lewis acid catalysed disubstitution reaction of ester-substituted silyl enol ether acetals with a series of aromatic

Practical synthesis of (±)-chlorovulone II

Ciufolini, Marco A.,Zhu, Shuren

, p. 1668 - 1675 (1998)

We describe a total synthesis of (±)-chlorovulone II that is 10 steps shorter than the best alternative currently available (nine vs 19 steps). The key event of the synthesis is an aldol addition of the enolate of ethyl acetate into 4-cyelopentene-1,3-dione, a substance that has received little attention as an educt for prostanoid synthesis and for which little is known about carbonyl 1,2-addition with enolates. In addition, we provide chemical and stereochemical details of a route to a key intermediate toward the title compound that involves a carbonyl-ene reaction and a radical addition to an aldehyde carbonyl.

AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES

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Paragraph 0197; 0198, (2021/04/01)

Disclosed are compounds of Formula (1) and pharmaceutically acceptable salts thereof, wherein α, β, n, R4, R5, R6, R8, R9, R10, R11, X1, X2, X3 and X7 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula (1), to pharmaceutical compositions comprising them, and to their use for treating diseases, disorders, and conditions associated with GPR139.

PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

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Paragraph 0140; 0141, (2015/02/19)

Compounds of formula (I): wherein A1, A2, Ra, Rb, Rc, Rd, R3, R4, R5 and T are as defined in the description. Medicinal products containing the same which are useful in treating pathologies involving a deficit in apoptosis, such as cancer, auto-immune diseases, and diseases of the immune system.

PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS

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Page/Page column 125-126, (2010/10/03)

The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds of formula (I): and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular ltk activity.

NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE

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Page/Page column 49-50, (2008/06/13)

This invention relates to novel compounds having the structural formula Ia or Ib below: (Ia); (Ib) and to their pharmaceutically acceptable salts, compositions and methods of use. These novel compounds provide a treatment or prophylaxis of cognitive impai

NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES

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Page/Page column 14-15; 23, (2010/11/27)

The present invention relates to compounds and methods useful as inhibitors of protein kinases, including B-Raf and several receptor tyrosine and cytoplasmic tyrosine kinases. The present invention is directed to new substituted pyrimidinyloxy urea compounds of Formulas II, III and IV and compositions and their application as pharmaceuticals for the treatment of disease. Methods of modulating of protein kinase activity in a human or animal subject are also provided for the treatment diseases such as cancers.

NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES

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Page/Page column 77, (2010/11/27)

The present invention relates to compounds and methods useful as inhibitors of protein kinases, including B-Raf and several receptor tyrosine and cytoplasmic tyrosine kinases. The present invention is directed to new substituted pyrimidinyloxy urea compounds of Formulas II, III and IV and compositions and their application as pharmaceuticals for the treatment of disease. Methods of modulating of protein kinase activity in a human or animal subject are also provided for the treatment diseases such as cancers.

HERBICIDAL PYRIMIDINES

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Page/Page column 27, (2010/02/12)

Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation wherein R1 is cyclopropyl optionally substituted with 1-5 R5, isopropyl optionally subs

Pyrimidine thioethers: A novel class of HIV-1 reverse transcriptase inhibitors with activity against BHAP-resistant HIV

Nugent, Richard A.,Schlachter, Stephen T.,Murphy, Michael J.,Cleek, Gary J.,Poel, Toni J.,Wishka, Donn G.,Graber, David R.,Yagi, Yoshihiko,Keiser, Barbara J.,Olmsted, Robert A.,Kopta, Laurie A.,Swaney, Steven M.,Poppe, Susan M.,Morris, Joel,Tarpley, W. Gary,Thomas, Richard C.

, p. 3793 - 3803 (2007/10/03)

A series of pyrimidine thioethers was synthesized and evaluated for inhibitory properties against wild-type HIV-1 reverse transcriptase (RT) and an RT carrying the resistance-conferring mutation P236L. Modifications of both the pyrimidine and the function

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