2-Methyl-2-phenylpropyl acetate
Product Specifications
- CAS
- 18755-52-7
- MF
- C12H16O2
- Appearance
- yellow solid or liquid
- Synonym(s)
- (2-methyl-2-phenylpropyl) acetate；(2-methyl-2-phenyl-propyl) acetate；Benzeneethanol, β,β-dimethyl-, 1-acetate
- Shipping
- ambient temperature
- Storage
- 2-8°C
PubChem CID 303084 links CAS 18755-52-7 to 2-Methyl-2-phenylpropyl acetate. Formula C12H16O2, SMILES CC(=O)OCC(C)(C)C1=CC=CC=C1, and InChIKey PEBXDRHRHPKKHS-UHFFFAOYSA-N define the same structure. PubChem Title “Neophyl acetate” and the systematic name both occur in the official synonym evidence.
The acetate portion contains a carbonyl carbon, a methyl group, and two oxygens. Its ester oxygen connects to a propyl carbon bearing two methyl substituents in total at position 2 and a phenyl ring at that same central carbon. The systematic name therefore describes the alkyl side of the acetate explicitly. The central substituted carbon carries no hydrogen in the published connectivity. Twelve carbon atoms and sixteen hydrogens complete C12H16O2. PubChem encodes one neutral, connected graph without stereochemical markers or a counterion. “Neophyl” is a retained synonym rather than a different molecular form.
An inquiry can identify the entry with CAS 18755-52-7 and the systematic H1, noting Neophyl acetate only as a cross-reference. Include the amount being considered, response contact, and questions about identity records. CID 303084 and InChIKey PEBXDRHRHPKKHS-UHFFFAOYSA-N provide structure-level confirmation before submission. Rlavie can link the message to this precise ester through those references. This avoids depending on the common name alone and keeps the acetate bonding distinct from another C12H16O2 isomer.