CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 130 °C |
| Flash Point | 33 °C |
| Density | 0.938 g/cu cm at 20 °C |
| Vapor Pressure | 4.1 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Combustion | -2.33X10+9 J/kmol |
| Kovats Retention Index | 669 |
| Other Experimental Properties | Conversion factors: 1 ppm = 3.68 mg/cu m; 1 mg/cu m = 0.272 ppm |
| Chemical Classes | Solvents -> Glycol Ethers (P Series) |
COMPUTED DESCRIPTORS
| Molecular Weight | 90.12 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 90.068079557 g/mol |
| Monoisotopic Mass | 90.068079557 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 28.7 |
| 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 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Methoxy-1-propanol is a natural product found in Mangifera indica with data available.