(S)-(−)-1-Phenylethanol
SIAL/05512 - ≥98.5% (sum of enantiomers, GC)
Synonym: (−)-Methyl phenyl carbinol; (S)-(−)-α-Methylbenzyl alcohol; (S)-(−)-sec-Phenylethyl alcohol
CAS Number: 1445-91-6
Empirical Formula (Hill Notation): C8H10O
Molecular Weight: 122.16
MDL Number: MFCD00064264
Linear Formula: C8H10O
Product Type: Chemical
| assay | ≥98.5% (sum of enantiomers, GC) |
| bp | 88-89 °C/10 mmHg (lit.) |
| density | 1.012 g/mL at 20 °C (lit.) |
| form | liquid |
| InChI | 1S/C8H10O/c1-7(9)8-5-3-2- |
| InChI key | WAPNOHKVXSQRPX-ZETCQYMHSA |
| mp | 9-11 °C (lit.) |
| optical activity | [α]/D −45±2°, c = 5% in methanol |
| optical purity | enantiomeric ratio: ≥97:3 (GC) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | C[C@H](O)c1ccccc1 |
| Application: | (S)-(-)-1-Phenylethanol can be used as: • A starting material to prepare (1S,3R,4S)-1-methyl-3,4-diphenyl-3 • A chiral solvent in the symmetric synthesis of substituted spiroundecenetriones via amino acid-catalyzed domino Knoevenagel/Diels-Alder reactions. |
| General description: | (S)-(-)-1-Phenylethanol can be prepared from acetophenone via enantioselective bioreduction in the presence of Rhizopus arrhizus as a biocatalyst. |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 - H315 - H318 |
| Precautionary statements | P280 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22-38-41 |
| Safety Statements | 26-39 |
| RIDADR | UN 2937 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Purity | ≥98.5% (sum of enantiomers, GC) |
| bp | 88-89 °C/10 mmHg (lit.) |
| mp | 9-11 °C (lit.) |
| Density | 1.012 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352002 |