(S)-1-phenyl-1-ethanol - CAS 1445-91-6
Catalog: |
BB050200 |
Product Name: |
(S)-1-phenyl-1-ethanol |
CAS: |
1445-91-6 |
Synonyms: |
(S)-1-Phenylethanol; (S)-(-)-1-Phenylethanol; (1S)-1-Phenylethan-1-ol; (S)-(−)-sec-Phenylethyl alcohol; (−)-Methyl phenyl carbinol; (S)-(−)-α-Methylbenzyl alcohol |
Application: |
(S)-(−)-1-Phenylethanol is a reagent used for the synthesis of optically active compounds |
IUPAC Name: | (1S)-1-phenylethanol |
Description: | (S)-1-phenyl-1-ethanol (CAS# 1445-91-6) is a reagent used for the synthesis of optically active compounds. |
Molecular Weight: | 122.16 |
Molecular Formula: | C8H10O |
Canonical SMILES: | CC(C1=CC=CC=C1)O |
InChI: | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 |
InChI Key: | WAPNOHKVXSQRPX-ZETCQYMHSA-N |
Boiling Point: | 206.9±8.0 °C at 760 mmHg |
Melting Point: | 9-11 °C |
Flash Point: | 85 °C(185 °F) |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.0±0.1 g/cm3 |
Solubility: | Soluble in water at 20°C 20g/L. Soluble in alcohol. |
Appearance: | Clear light yellow liquid |
Storage: | Room temperature. |
MDL: | MFCD00064264 |
Refractive Index: | 1.53 |
Precautionary Statement: | P210 - P235 - P264b - P270 - P271 - P280 - P301+P312 - P302+P352 - P304+P340 - P305+P351+P338 - P312 - P330 - P332+P313 - P362 - P370+P378q - P501c - X |
Complexity: | 74.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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