2-Ethoxy-4-formylphenyl Acetate - 10mM in DMSO , CAS No.72207-94-4

CAS: 72207-94-4 Cat. No.: E425663 Molecular Weight: 208.21 EC Number: 676-943-2

GRADE & PURITY 10mM in DMSO

Synonyms

s9337 | SR-01000242024-1 | SCHEMBL1254905 | (2-ethoxy-4-formylphenyl) acetate | 2-ethoxy-4-formylphenyl acetate | AKOS B004453 | 3-08-00-02030 (Beilstein Handbook Reference) | EN300-227951 | 2-ethoxy-4-formylphenylacetate | Ethylvanillin acetate | Ethyl v

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Maximum Absorption Wavelength:309(1-Butanol)nm

application：

4-Acetoxy-3-ethoxybenzaldehyde is used in organic synthesis. It is used as catalytic agent; petrochemical additive.

Specifications

Synonyms

s9337 | SR-01000242024-1 | SCHEMBL1254905 | (2-ethoxy-4-formylphenyl) acetate | 2-ethoxy-4-formylphenyl acetate | AKOS B004453 | 3-08-00-02030 (Beilstein Handbook Reference) | EN300-227951 | 2-ethoxy-4-formylphenylacetate | Ethylvanillin acetate | Ethyl v

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCOC1=C(C=CC(=C1)C=O)OC(=O)C
• IUPAC Name: (2-ethoxy-4-formylphenyl) acetate
• InChIKey: XRZFVPCFHPIMAD-UHFFFAOYSA-N
• INCHI: 1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3
• Isomeric SMILES: CCOC1=C(C=CC(=C1)C=O)OC(=O)C
• Molecular Weight: 208.21
• Reaxy-Rn: 3305672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3305672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 45 °C
• Molecular Weight: 208.210 g/mol
• XLogP3: 1.500
• 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 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• 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