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Ethyl Acetylsalicylate - ≥98%, high purity , CAS No.529-68-0

COA

Grade & Purity:

≥98%

Cas Number: 529-68-0
Molecular Weight: 208.21
MDL number: MFCD00026824
PubChem CID: 10728

In stock

Item Number

E156530

Grouped product items
SKU	Size	Availability	Price	Qty
E156530-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
E156530-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$101.90

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Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	ethyl 2-acetyloxybenzoate \| AI3-05003 \| AS-57969 \| MFCD00026824 \| EINECS 208-467-4 \| UNII-VX19C5613T \| Acetylsalicylic Acid Ethyl Ester \| Q27292061 \| ETHYL2-ACETOXYBENZOATE \| A870853 \| Ethyl 2-acetoxybenzoate \| Benzoic acid, 2-(acetyloxy)-, ethyl ester \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Hydroxybenzoic acid derivatives
        Level6 Salicylic acid and derivatives
        Level7 Acylsalicylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent	Acylsalicylic acids and derivatives
Alternative Parents	Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylsalicylic acid or derivatives - Phenol ester - Benzoate ester - Phenoxy compound - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylsalicylic acids and derivatives. These are salicylic acids or derivatives, that are O-acylated.
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

IUPAC Name	ethyl 2-acetyloxybenzoate
INCHI	InChI=1S/C11H12O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-7H,3H2,1-2H3
InChIKey	UYDSGXAKLVZWIJ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC=CC=C1OC(=O)C
Isomeric SMILES	CCOC(=O)C1=CC=CC=C1OC(=O)C
WGK Germany	3
Molecular Weight	208.21
Reaxy-Rn	2110275
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110275&ln=

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

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Lot Number	Certificate Type	Date	Item
G2425398	Certificate of Analysis	Apr 28, 2024	E156530

Chemical and Physical Properties

Refractive Index	1.5
Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Molecular Weight	208.210 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	208.074 Da
Monoisotopic Mass	208.074 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237.000
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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