Thymyl isobutyrate
(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
Also Known As: Thymol isobutyrate|Thymyl isobutyrate|Thymylisobutyrate|Thymol, isobutyrate|starbld0036172|Isobutyric acid, thymyl ester|2-Isopropyl-5-methylphenyl isobutyrate|NP4500|TN5864|(5-methyl-2-propan-2-ylphenyl)2-methylpropanoate|(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate|5-Methyl-2-(propan-2-yl)phenyl 2-methylpropanoate|2-Methylpropanoic acid 2-isopropyl-5-methylphenyl ester|Isobutyric acid 5-methyl-2-(1-methylethyl)phenyl ester|Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester|Propanoic acid,2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.14633 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Monoisotopic Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6311-79-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)C(C)C |
| InChIKey | HTPVUEJWIFHSCK-UHFFFAOYSA-N |
Product Overview
Thymyl isobutyrate (CAS 6311-79-1), with molecular formula C14H20O2 and molecular weight 220.14633 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate.
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