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B1334

Sigma-Aldrich

Benzaldehyde

ReagentPlus®, ≥99%

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

vapor density

3.7 (vs air)

Quality Level

200

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.)

SMILES string

O=Cc1ccccc1

InChI

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

InChI key

HUMNYLRZRPPJDN-UHFFFAOYSA-N

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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.

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.

Quality

Chlorine-free

Legal Information

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

Signal Word

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

WGK

WGK 1

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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Activation of Mg-Al hydrotalcite catalysts for aldol condensation reactions.
Rao KK, et al.
J. Catal., 173(1), 115-121 (1998)
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)
Hydrogenation of benzaldehyde over palladium intercalated bentonite catalysts: Kinetic studies.
Divakar D, et al.
Catalysis Letters, 125(3-4), 277-282 (2008)
N-Heterocyclic Carbene-Catalyzed Oxidative Amidation of Aldehydes with Amines.
Alanthadka A and Maheswari CU.
Advanced Synthesis & Catalysis, 357(6), 1199-1203 (2015)
Reduction of benzaldehyde on metal oxides.
Haffad D, et al.
J. Catal., 172(1), 85-92 (1997)
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Articles

Aldol Condensation Reaction

The aldol condensation reaction is an organic reaction introduced by Charles Wurtz, who first prepared the β-hydroxy aldehyde from acetaldehdye in 1872.

Knoevenagel Condensation Reaction

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

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