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Merck

B1334

Benzaldehyde

≥99%, liquid, ReagentPlus®

Synonym(s):

Bitter almond

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About This Item

Linear Formula:
C6H5CHO
CAS Number:
100-52-7
Molecular Weight:
106.12
NACRES:
NA.21
PubChem Substance ID:
57653918
eCl@ss:
39023701
UNSPSC Code:
12352100
EC Number:
202-860-4
MDL number:
MFCD00003299
Beilstein/REAXYS Number:
471223

Product Name

Benzaldehyde, ReagentPlus®, ≥99%

InChI key

HUMNYLRZRPPJDN-UHFFFAOYSA-N

InChI

1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

SMILES string

O=Cc1ccccc1

vapor density

3.7 (vs air)

vapor pressure

4 mmHg ( 45 °C)

product line

ReagentPlus®

assay

≥99%

form

liquid

autoignition temp.

374 °F

expl. lim.

1.4 %, 20 °F

refractive index

n20/D 1.545 (lit.)

pH

5.9 (20 °C)

bp

178-179 °C (lit.)

mp

−26 °C (lit.)

density

1.044 g/cm3 at 20 °C (lit.)

functional group

aldehyde
phenyl

Quality Level

200

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Analysis Note

Chlorine-free

Application

Benzaldehyde has been used as a standard in the quantification of Achillea ligustica essential oil by GC-MS (Gas Chromatography-Mass Spectrometry).
Benzaldehyde may be used in the following studies:
  • Preparation of optically active 1-phenylpropan-1-ol.
  • Synthesis of meso-tetraphenylporphins and chlorins.
  • As a test compound to study oxidative amidation reaction of aliphatic primary/secondary amines using N-heterocyclic carbine as a catalyst.
  • Synthesis of 2-phenyl-2,3-dihydro-4H-pyran-4-one with high enantioselectivity by hetero-Diels-Alder (HDA) reaction with Danishefsky′s diene.

General description

Benzaldehyde is an aromatic aldehyde. Rotational transitions in benzaldehyde have been explained based on its microwave absorption spectrum. The conversion of benzaldehyde into reduced compounds in the presence of metal oxides has been studied. SmFeO3 (perovskite-type oxide catalyst) catalyzed cyanosilylation reaction of benzaldehyde with trimethylsilyl cyanide (TMSCN) has been reported.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

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

wgk

WGK 1

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ3518
SDBB3127
MKCV7776
SDBB0503
MKCS8607

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Experimental and theoretical studies on the hydrogen-bond-promoted enantioselective hetero-Diels-alder reaction of Danishefsky's diene with benzaldehyde.
Zhang X, et al.
The Journal of Organic Chemistry, 71(7), 2862-2869 (2006)
N-Heterocyclic Carbene-Catalyzed Oxidative Amidation of Aldehydes with Amines.
Alanthadka A and Maheswari CU.
Advanced Synthesis & Catalysis, 357(6), 1199-1203 (2015)
Hydrogenation of benzaldehyde over palladium intercalated bentonite catalysts: Kinetic studies.
Divakar D, et al.
Catalysis Letters, 125(3-4), 277-282 (2008)
Activation of Mg-Al hydrotalcite catalysts for aldol condensation reactions.
Rao KK, et al.
J. Catal., 173(1), 115-121 (1998)
Benzaldehyde hydrogenation over supported nickel catalysts.
Saadi A, et al.
J. Mol. Catal. A: Chem., 253(1), 79-85 (2006)
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