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CAS NO.1188-02-9
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| 2-Methylheptanoic acid Basic information |
| Product Name: | 2-Methylheptanoic acid |
| Synonyms: | 2-methyl-heptanoicaci;FEMA NUMBER 2706;FEMA 2706;2-METHYLHEPTANOIC ACID;2-METHYLENANTHIC ACID;2-METHYLHEPTANOIC ACID 97+%;Heptanoic acid, 2-methyl-;a-Methylheptanoic acid |
| CAS: | 1188-02-9 |
| MF: | C8H16O2 |
| MW: | 144.21 |
| EINECS: | 214-704-2 |
| Product Categories: | Industrial/Fine Chemicals;Alphabetical Listings;Flavors and Fragrances;M-N |
| Mol File: | 1188-02-9.mol |
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| 2-Methylheptanoic acid Chemical Properties |
| bp | 140 °C30 mm Hg(lit.) |
| density | 0.906 g/mL at 25 °C(lit.) |
| refractive index |
n |
| FEMA | 2706 |
| Fp | >230 °F |
| CAS DataBase Reference | 1188-02-9(CAS DataBase Reference) |
| EPA Substance Registry System | Heptanoic acid, 2-methyl-(1188-02-9) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 37/38-41 |
| Safety Statements | 26-39-24/25 |
| WGK Germany | 3 |
| PackingGroup | III |
| Molecular Weight | 144.21144 g/mol |
|---|---|
| Molecular Formula | C8H16O2 |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.11503 g/mol |
| Monoisotopic Mass | 144.11503 g/mol |
| Topological Polar Surface Area | 37.3 A^2 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 99.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |