Phenyl hexanoate
phenyl hexanoate
Also Known As: Phenyl hexanoate|Phenyl caproate|Hexanoic acid, phenyl ester|phenylhexanoate|Caproicacidphenylester|Hexanoicacid,phenylester|Caproic acid phenyl ester|hexanoic acid phenyl ester|AO-548/41104752
CAS: 7780-16-7
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.11504 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Monoisotopic Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 7780-16-7 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=CC=C1 |
| InChIKey | SOOXQKVMQBCEGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (4 patents)
Catalysts (11 patents)
Coatings & Adhesives (3 patents)
Dyes & Pigments (2 patents)
Heterocyclic Building Blocks (57 patents)
Lubricants & Additives (1 patents)
Organic Building Blocks (100 patents)
Organometallic Reagents (10 patents)
Peptides & Amino Acids (1 patents)
Pharmaceutical Intermediates (18 patents)
Plastic Additives (7 patents)
Polymer Intermediates (21 patents)
Specialty Chemicals (6 patents)
Surfactants & Detergents (37 patents)
Textile Chemicals (3 patents)
Product Overview
Phenyl hexanoate (CAS 7780-16-7), with molecular formula C12H16O2 and molecular weight 192.11504 g/mol. IUPAC: phenyl hexanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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