Benzoic acid, 4-hexyl-, methyl ester
methyl 4-hexylbenzoate
Also Known As: Methyl 4-hexylbenzoate|Methyl p-hexylbenzoate|Benzoic acid, 4-hexyl-, methyl ester|4-Hexylbenzoic acid methyl ester|Methyl 4-hexylbenzoate #|4-Hexylbenzoicacidmethylester|4-Methoxycarbonyl-1-hexyl-benzol
CAS: 38409-63-1
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.14633 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Monoisotopic Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 38409-63-1 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | RTTGTHPEVMEHEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (11 patents)
Organic Building Blocks (1 patents)
Polymer Intermediates (4 patents)
Specialty Chemicals (5 patents)
Product Overview
Benzoic acid, 4-hexyl-, methyl ester (CAS 38409-63-1), with molecular formula C14H20O2 and molecular weight 220.14633 g/mol. IUPAC: methyl 4-hexylbenzoate.
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.
View MSDS →
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