P13800

1-Phenylethanol

98%

• Synonym(s): (±)-1-Phenylethanol, (±)-α-Methylbenzyl alcohol, Methyl phenyl carbinol, Styrallyl alcohol, Styrene alcohol
• Linear Formula: C₆H₅CH(OH)CH₃
• CAS Number: 98-85-1
• Molecular Weight: 122.16
• Beilstein/REAXYS Number: 1905149
• EC Number: 202-707-1
• MDL number: MFCD00004508
• UNSPSC Code: 12352100
• PubChem Substance ID: 24898193
• NACRES: NA.22

Properties

• vapor density: 4.21 (vs air)
• vapor pressure: 0.1 mmHg ( 20 °C)
• assay: 98%
• refractive index: n20/D 1.527 (lit.)
• bp: 204 °C/745 mmHg (lit.)
• mp: 19-20 °C (lit.)
• density: 1.012 g/mL at 25 °C (lit.)
• SMILES string: CC(O)c1ccccc1
• InChI: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
• InChI key: WAPNOHKVXSQRPX-UHFFFAOYSA-N

Description

Application

• 1-Phenylethanol can be used in the acid catalyzed Ritter reaction to synthesize various N-benzylacetamides.
• It is one of the key precursors for the synthesis of [60] fullerene-fused isochroman derivatives via palladium-catalyzed hydroxyl-directed cyclization.
• It is used in Friedlander synthesis of quinolines where 1-phenylethanol reacts with 2-aminobenzylic alcohol derivatives to yield corresponding quinones.
• It can also be used in the regioselective, iridium-catalyzed multicomponent synthesis of pyrimidines.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H319
• pcodes: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 1
• flash_point_f: 187.9 °F - Pensky-Martens closed cup
• flash_point_c: 86.6 °C - Pensky-Martens closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter