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Ethyl 1-Adamantanecarboxylate - >98.0%(GC), high purity , CAS No.2094-73-7

COA

Grade & Purity:

≥98%(GC)

Cas Number: 2094-73-7
Molecular Weight: 208.3
MDL number: MFCD00078272
PubChem CID: 123141
PubChem SID: 504756903

In stock

Item Number

E156169

Grouped product items
SKU	Size	Availability	Price
E156169-1g	1g	3	$22.90
E156169-5g	5g	3	$88.90
E156169-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$292.90
E156169-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,053.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	DTXSID80175109 \| Ethyl 1-adamantanecarboxylate # \| SCHEMBL1073543 \| A879334 \| FT-0607299 \| SCHEMBL12863441 \| A0722 \| Ethyladamantane-1-carboxylate \| 1-Adamantylcarboxylic Acid Ethyl Ester \| Ethyl tricyclo(3.3.1.13,7)decane-1-carboxylate \| Ethyl 1-adamanta
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504756903
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756903
IUPAC Name	ethyl adamantane-1-carboxylate
INCHI	InChI=1S/C13H20O2/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3
InChIKey	SYEXGNJRYPOUSI-UHFFFAOYSA-N
Smiles	CCOC(=O)C12CC3CC(C1)CC(C3)C2
Isomeric SMILES	CCOC(=O)C12CC3CC(C1)CC(C3)C2
Molecular Weight	208.3
Reaxy-Rn	2050027
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050027&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
C2010033	Certificate of Analysis	Dec 18, 2023	E156169
G2311017	Certificate of Analysis	Jul 21, 2023	E156169
G2311020	Certificate of Analysis	Jul 18, 2023	E156169

Chemical and Physical Properties

Refractive Index	1.49
Flash Point(°C)	110 °C
Boil Point(°C)	123°C/9mmHg
Molecular Weight	208.300 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	208.146 Da
Monoisotopic Mass	208.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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