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Merck

305197

Benzyl alcohol

anhydrous, 99.8%

Synonym(s):

BnOH, Benzenemethanol

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About This Item

Linear Formula:
C6H5CH2OH
CAS Number:
100-51-6
Molecular Weight:
108.14
NACRES:
NA.21
PubChem Substance ID:
57648443
eCl@ss:
39023110
UNSPSC Code:
12352104
EC Number:
202-859-9
MDL number:
MFCD00004599
Beilstein/REAXYS Number:
878307
grade:
anhydrous
assay:
99.8%
bp:
203-205 °C (lit.)
vapor pressure:
13.3 mmHg ( 100 °C)
3.75 mmHg ( 77 °C)

Product Name

Benzyl alcohol, anhydrous, 99.8%

InChI key

WVDDGKGOMKODPV-UHFFFAOYSA-N

InChI

1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

SMILES string

OCc1ccccc1

grade

anhydrous

vapor density

3.7 (vs air)

vapor pressure

13.3 mmHg ( 100 °C)
3.75 mmHg ( 77 °C)

assay

99.8%

form

liquid

autoignition temp.

817 °F

expl. lim.

0.34-6.3 %

impurities

<0.003% water
<0.005% water (100 mL pkg)

refractive index

n20/D 1.539 (lit.)

bp

203-205 °C (lit.)

mp

−16-−13 °C (lit.)

solubility

water: soluble 33 g/L at 20 °C

density

1.045 g/mL at 25 °C (lit.)

Quality Level

100

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Application

Benzyl alcohol reacts with triethyl phosphite and zinc iodide to form the corresponding phosphonates. It may also be used in the preparation of benzyl bromoacetate by reacting with bromoacetyl bromide in the presence of sodium hydrogen carbonate.

General description

Benzyl alcohol is a monoaromatic primary alcohol widely used as a solvent and as an intermediate in cosmetic formulations, pharmaceutical and flavor/fragrance industries. It is capable of forming an intramolecular OH.... π hydrogen bond and it exists in gauche cis conformation around the alcoholic group.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

213.8 °F - DIN 51758

flash_point_c

101 °C - DIN 51758

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3730
SHBS8704
SHBS6971
SHBS2156
SHBR7666

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Synthesis of a 2,2-Dichloroimidazolidine-4,5-dione and its Application in a Chlorodehydroxylation
David Schilter D and Bielawski CW
Organic Syntheses, 93, 413-413 (2016)
Convenient Synthesis of a-Diazoacetates from a-Bromoacetates and N,N'-Ditosylhydrazine: Preparation of Benzyl Diazoacetate
Ideue E, et al.
Organic Syntheses, 89, 501-501 (2012)
The most stable conformer of benzyl alcohol.
Miller BJ, et al.
Chemical Physics Letters, 466(1), 21-26 (2008)
Surface functionalized TiO2 supported Pd catalysts for solvent-free selective oxidation of benzyl alcohol.
Weerachawanasak P, et al.
Catalysis Today, 250, 218-225 (2015)
Engineering Escherichia coli for renewable benzyl alcohol production.
Pugh S, et al.
Metabolic Engineering Communications, 2, 39-45 (2015)
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