
CAS 113520-28-8
:1-Ethyl 1,3-benzenediacetate
Description:
1-Ethyl 1,3-benzenediacetate, identified by its CAS number 113520-28-8, is an organic compound characterized by its ester functional groups. This substance features a benzene ring substituted with two acetate groups at the 1 and 3 positions, along with an ethyl group attached to the benzene. The presence of these functional groups contributes to its chemical properties, including solubility in organic solvents and potential reactivity in various chemical reactions. Typically, esters like 1-Ethyl 1,3-benzenediacetate exhibit pleasant, fruity odors and are often used in flavoring and fragrance applications. The compound's molecular structure suggests it may participate in reactions such as hydrolysis, transesterification, or condensation under appropriate conditions. Additionally, its physical properties, such as boiling point and melting point, would be influenced by the molecular weight and the nature of the substituents on the benzene ring. Safety data should be consulted for handling and usage, as with all chemical substances.
Formula:C12H14O4
InChI:InChI=1S/C12H14O4/c1-2-16-12(15)8-10-5-3-4-9(6-10)7-11(13)14/h3-6H,2,7-8H2,1H3,(H,13,14)
InChI key:InChIKey=BHGFHTPCVUDLDS-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)C1=CC(CC(O)=O)=CC=C1
Synonyms:- 1-Ethyl 1,3-benzenediacetate
- 1,3-Benzenediacetic acid, 1-ethyl ester
- (3-((Ethoxycarbonyl)methyl)phenyl)acetic acid
- m-Phenylenediacetic acid monoethyl ester
- 1,3-Benzenediacetic acid, monoethyl ester
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