| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM30833535-3 |
| Product Name | Monoisobutyl Phthalate |
| CAS | 30833-53-5 |
| Structure |  |
| Synonyms | Mibp |
| Description | Solid |
| IUPAC Name | 2-(2-Methylpropoxycarbonyl)benzoic acid |
| Molecular Weight | 222.24 |
| Molecular Formula | C12H14O4 |
| Canonical SMILES | CC(C)COC(=O)C1=CC=CC=C1C(=O)O |
| InChI | InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | RZJSUWQGFCHNFS-UHFFFAOYSA-N |
| Boiling Point | 283.41 °C |
| Melting Point | 78-80 °C |
| Density | 1.0643 g/mL |
| Complexity | 260 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.08920892 |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 222.08920892 |
| Physical State | Liquid |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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