CAS 105337-82-4
:Ethyl 2-(1-methylethyl)benzoate
Description:
Ethyl 2-(1-methylethyl)benzoate, with the CAS number 105337-82-4, is an organic compound belonging to the class of esters. It is characterized by its structure, which features a benzoate moiety attached to an ethyl group and a branched alkyl group (isopropyl) at the 2-position of the aromatic ring. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor, making it potentially useful in flavoring and fragrance applications. Ethyl 2-(1-methylethyl)benzoate is generally soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. Its chemical properties include stability under normal conditions, although it may undergo hydrolysis in the presence of strong acids or bases. The compound's reactivity can be influenced by the presence of functional groups and the steric effects of the isopropyl substituent. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C12H16O2
InChI:InChI=1S/C12H16O2/c1-4-14-12(13)11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3
InChI key:InChIKey=FXFCAMRVPKSUGZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C(C)C)C=CC=C1
Synonyms:- Ethyl 2-(1-methylethyl)benzoate
- Ethyl 2-isopropylbenzoate
- Benzoic acid, o-isopropyl-, ethyl ester
- Benzoic acid, 2-(1-methylethyl)-, ethyl ester
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