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P13800

1-Phenylethanol

Name: 1-Phenylethanol
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24898193

EC Number:

202-707-1

Beilstein/REAXYS Number:

1905149

MDL number:

MFCD00004508

Assay:

98%

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Properties

vapor density

4.21 (vs air)

Quality Level

100

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.

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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

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

Regulatory Information

危险化学品

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FeCl3-catalyzed Ritter reaction. Synthesis of amides.

Anxionnat B, et al.

Tetrahedron Letters, 50(26), 3470-3473 (2009)

The Ritter reaction under truly catalytic Br?nsted acid conditions.

Sanz R, et al.

European Journal of Organic Chemistry, 2007(28), 4642-4645 (2007)

A sustainable multicomponent pyrimidine synthesis.

Deibl N, et al.

Journal of the American Chemical Society, 137(40), 12804-12807 (2015)

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Global Trade Item Number

SKU	GTIN
P13800-1KG	04061834354642
P13800-25G	04061834354710
P13800-500G	04061834354727