Merck
All Photos(3)

P13800

Sigma-Aldrich

1-Phenylethanol

98%

Synonym(s):
Styrallyl alcohol, Styrene alcohol, (±)-1-Phenylethanol, Methyl phenyl carbinol, (±)-α-Methylbenzyl alcohol
Linear Formula:
C6H5CH(OH)CH3
CAS Number:
Molecular Weight:
122.16
Beilstein:
1905149
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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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Related Categories

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.

Packaging

25, 500 g in glass bottle
1 kg in glass bottle

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 - closed cup

Flash Point(C)

86.6 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Transition-metal-free indirect friedlander synthesis of quinolines from alcohols.
Martinez R, et al.
The Journal of Organic Chemistry, 73(24), 9778-9780 (2008)
FeCl3-catalyzed Ritter reaction. Synthesis of amides.
Anxionnat B, et al.
Tetrahedron Letters, 50(26), 3470-3473 (2009)
Synthesis of [60] fullerene-fused tetrahydrobenzooxepine and isochroman derivatives via hydroxyl-directed C?H activation/C?O cyclization.
Zhai W Q, et al.
Organic Letters, 16(6), 1638-1641 (2014)
A sustainable multicomponent pyrimidine synthesis.
Deibl N, et al.
Journal of the American Chemical Society, 137(40), 12804-12807 (2015)
Mohan Padmanaban et al.
Chemical communications (Cambridge, England), 47(44), 12089-12091 (2011-10-01)
A modular approach for the synthesis of highly ordered porous and chiral auxiliary (Evans auxiliary) decorated metal-organic frameworks is developed. Our synthesis strategy, which uses known porous structures as model materials for incorporation of chirality via linker modification, can provide

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