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Key Documents

P13800

Sigma-Aldrich

1-Phenylethanol

98%

Synonym(s):

(±)-1-Phenylethanol, (±)-α-Methylbenzyl alcohol, Methyl phenyl carbinol, Styrallyl alcohol, Styrene alcohol

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About This Item

Linear Formula:
C6H5CH(OH)CH3
CAS Number:
Molecular Weight:
122.16
Beilstein:
1905149
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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

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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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point(F)

187.9 °F - Pensky-Martens closed cup

Flash Point(C)

86.6 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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