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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
Assay:
≥99%
Form:
liquid
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Product Name

Benzaldehyde, ReagentPlus®, ≥99%

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.)

functional group

aldehyde, phenyl

SMILES string

O=Cc1ccccc1

InChI

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

InChI key

HUMNYLRZRPPJDN-UHFFFAOYSA-N

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 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.
Benzaldehyde has been used as a standard in the quantification of Achillea ligustica essential oil by GC-MS (Gas Chromatography-Mass Spectrometry).

Analysis Note

Chlorine-free

Legal Information

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

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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
STBK6361
STBK3515
STBK2978
MKCP3402
STBK1297

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Articles

羟醛缩合反应

羟醛缩合反应是由Charles Wurtz推出的有机反应，他于1872年首次从乙醛中制备了β-羟基醛。

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.

Gas phase hydrogenation of benzaldehyde over supported copper catalysts. Effect of copper loading.
Lanasri K, et al.
Studies in Surface Science and Catalysis, 174, 1279-1282 (2008)
Microwave Spectrum of Benzaldehyde.
Kakar RK, et al.
J. Chem. Phys., 52(7), 3803-3813 (1970)
B Rosche et al.
Applied microbiology and biotechnology, 57(3), 309-315 (2002-01-05)
Extracts of 14 filamentous fungi were examined regarding their potential for production of (R)-phenylacetylcarbinol [(R)-PAC], which is the chiral precursor in the manufacture of the pharmaceuticals ephedrine and pseudoephedrine. Benzaldehyde and pyruvate were transformed at a scale of 1.2 ml
View All Related Papers

Global Trade Item Number

SKUGTIN
B1334-1KG04061833422083
B1334-2G04061833422090
B1334-3KG04061833422137
B1334-18KG04061833422052
B1334-100G04061833422014
B1334-5G04061833422151