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DIETHYL 1,3-ADAMANTANEDIACETATE, with the molecular formula C18H28O4, is an ester derived from the reaction of diethyl acetate with ethyladamantane-1-carboxylate. This chemical compound is known for its pleasant odor and taste, making it a valuable ingredient in the production of fragrances, flavorings, and pharmaceuticals. Its unique molecular structure and reactivity also contribute to its potential applications in organic chemistry research and as a solvent in various chemical processes.

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  • 81657-07-0 Structure
  • Basic information

    1. Product Name: diethyl 1,3-adaMantanediacetate
    2. Synonyms: diethyl 1,3-adaMantanediacetate;Diethyl adamantane-1,3-diacetate;Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid diethyl ester;Diethyl 2,2'-(adaMantane-1,3-diyl)diacetate
    3. CAS NO:81657-07-0
    4. Molecular Formula: C18H28O4
    5. Molecular Weight: 308.41252
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 81657-07-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.112±0.06 g/cm3 (20 ºC 760 Torr)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: diethyl 1,3-adaMantanediacetate(CAS DataBase Reference)
    10. NIST Chemistry Reference: diethyl 1,3-adaMantanediacetate(81657-07-0)
    11. EPA Substance Registry System: diethyl 1,3-adaMantanediacetate(81657-07-0)
  • 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: 81657-07-0(Hazardous Substances Data)

81657-07-0 Usage

Uses

Used in Fragrance Industry:
DIETHYL 1,3-ADAMANTANEDIACETATE is used as a fragrance ingredient for its pleasant odor, enhancing the scent profiles of various perfumes and scented products.
Used in Flavoring Industry:
In the flavoring industry, DIETHYL 1,3-ADAMANTANEDIACETATE serves as a flavor enhancer, contributing to the taste profiles of food and beverages.
Used in Pharmaceutical Industry:
DIETHYL 1,3-ADAMANTANEDIACETATE is utilized as an active pharmaceutical ingredient or as a component in the formulation of medications, capitalizing on its pleasant taste to improve patient compliance.
Used as a Solvent:
DIETHYL 1,3-ADAMANTANEDIACETATE functions as a solvent in various chemical processes, facilitating reactions and aiding in the dissolution of other substances.
Used in Organic Chemistry Research:
DIETHYL 1,3-ADAMANTANEDIACETATE is employed as an intermediate in the synthesis of various organic compounds, leveraging its unique reactivity for the development of new chemical entities.
Used in the Synthesis of Intermediates:
Its role as an intermediate highlights its importance in the production of other valuable compounds, contributing to the advancement of organic chemistry and related fields.

Check Digit Verification of cas no

The CAS Registry Mumber 81657-07-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,6,5 and 7 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 81657-07:
(7*8)+(6*1)+(5*6)+(4*5)+(3*7)+(2*0)+(1*7)=140
140 % 10 = 0
So 81657-07-0 is a valid CAS Registry Number.

81657-07-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-[3-(2-ethoxy-2-oxoethyl)-1-adamantyl]acetate

1.2 Other means of identification

Product number -
Other names 1,3-adamantane-diacetic acid diethylester

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:81657-07-0 SDS

81657-07-0Relevant articles and documents

Diamondoid hydrazones and hydrazides: Sterically demanding ligands for Sn/S cluster design

Barth, Beatrix E. K.,Tkachenko, Boryslav A.,Eussner, Jens P.,Schreiner, Peter R.,Dehnen, Stefanie

, p. 1678 - 1688 (2014)

A series of new adamantane and diamantane hydrazides was synthesized and coupled with organo-functionalized Sn/S clusters of the general type [R 1Sn4S6] (R1 = CMe2CH 2COMe) to form diamondoid-decorated Sn/S clusters. The new ligand precursors as well as the resulting hybrid compounds were analyzed by NMR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction, and first insights were gained in the installation of sterically highly demanding and at the same time rigid mono-, di-, and trifunctionalized diamondoid ligands on tetrelchalcogenide cages.

Oxidation of Deactivated Cage Substrates in the System H2SO4–HNO3

Grin?, I. S.,Ivleva, E. A.,Klimochkin, Yu. N.,Uchaev, I. S.

, p. 412 - 421 (2020/04/27)

Abstract: The kinetics of oxidation of 16 carboxylic acid esters of the adamantaneseries in the systemH2SO4–HNO3have been studied, and the effective rate constants have been determined. Thereaction is described by the pseudo-first-order kinetic equation. The primarykinetic isotope effect has been estimated at 2.9±0.3. The rate-determining stepof the oxidation process is cleavage of the adamantane C–H bond. The presence ofan ethyl group at the bridgehead position increases the reactivity of adamantanesubstrates toward oxidation, whereas methyl, ethoxycarbonyl, andethoxycarbonylmethyl groups reduce the reactivity.

Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids

Papanastasiou, Ioannis,Prousis, Kyriakos C.,Georgikopoulou, Kalliopi,Pavlidis, Theofilos,Scoulica, Effie,Kolocouris, Nicolas,Calogeropoulou, Theodora

supporting information; experimental part, p. 5484 - 5487 (2011/01/12)

A series of new 2-[3-(2-alkyloxy-ethyl)-adamantan-1-yl]-ethoxy substituted ether phospholipids was synthesized and their antileishmanial activity was evaluated against Leishmania infantum amastigotes. The majority of the new analogues were significantly l

A CONVENIENT SYNTHESIS OF 1,3-DIVINYLADAMANTANE

Majerski, Zdenko,Skare, Danko,Vulic, Ljubica

, p. 51 - 56 (2007/10/02)

1,3-Divinyladamantane was prepared in 30percent overall yield by LiAlH4 reduction of 1,3-bis(carboxymethyl)adamantane, conversion of the resulting diol to the borate ester, and pyrolysis of the ester in vacuo.

Unsaturated esters of adamantane containing diols and thermo-resistant cross-linked polymers therefrom

-

, (2008/06/13)

Diacrylate and dimethacrylate esters corresponding to the formula STR1 wherein R and R' are hydrogen or methyl and A is either a sigma (?) bond; a (CH2)η radical where η is an interger that may vary from one through four; or phenylene, or an alkyl derivative thereof. The new adamantane containing difunctional olefinic monomers can then be polymerized, or copolymerized with other acrylic type olefinic monomers to produce polymers with unusual physical properties, including unusual hardness, inertness to degradable agents, and resistance to heat.

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