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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:
98-85-1
Molecular Weight:
122.16
Beilstein:
1905149
EC Number:
202-707-1
MDL number:
MFCD00004508
UNSPSC Code:
12352100
PubChem Substance ID:
24898193
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
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

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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1-Phenyl-1-propanol ≥97%

Sigma-Aldrich

111309

1-Phenyl-1-propanol

1-Phenylethanol-d10 98 atom % D

Sigma-Aldrich

614971

1-Phenylethanol-d10

Transition-metal-free indirect friedlander synthesis of quinolines from alcohols.
Martinez R, et al.
The Journal of Organic Chemistry, 73(24), 9778-9780 (2008)
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)
FeCl3-catalyzed Ritter reaction. Synthesis of amides.
Anxionnat B, et al.
Tetrahedron Letters, 50(26), 3470-3473 (2009)
Pedro Lozano et al.
Biotechnology letters, 28(19), 1559-1565 (2006-08-11)
Continuous dynamic kinetic resolution processes in different ionic liquid/supercritical carbon dioxide biphasic systems were carried out by simultaneously using both immobilized Candida antarctica lipase B (Novozym 435) and silica modified with benzenosulfonic acid (SCX) catalysts at 40 degrees C and
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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Chromatograms

suitable for GC

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