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8.01756

Sigma-Aldrich

Benzaldehyde

for synthesis

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Synonym(s):
Benzaldehyde, Bitter almond oil
Empirical Formula (Hill Notation):
C7H6O
CAS Number:
Molecular Weight:
106.12
MDL number:
EC Index Number:
202-860-4

vapor pressure

1.3 hPa ( 20 °C)

Quality Level

assay

≥99.0% (GC)

form

liquid

autoignition temp.

190 °C

potency

1300 mg/kg LD50, oral (Rat)
>1250 mg/kg LD50, skin (Rabbit)

expl. lim.

1.4-8.5 % (v/v)

pH

5.9 (1 g/L in H2O)

bp

179 °C/1013 hPa

mp

-26 °C

transition temp

flash point 64 °C

solubility

3.3 g/L

density

1.05 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

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

InChI key

HUMNYLRZRPPJDN-UHFFFAOYSA-N

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This Item
41809912010B1334
vibrant-m

8.01756

Benzaldehyde

vibrant-m

418099

Benzaldehyde

vibrant-m

12010

Benzaldehyde

vibrant-m

B1334

Benzaldehyde

solubility

3.3 g/L

solubility

-

solubility

-

solubility

-

assay

≥99.0% (GC)

assay

≥99.5%

assay

≥99.0% (GC)

assay

≥99%

vapor pressure

1.3 hPa ( 20 °C)

vapor pressure

4 mmHg ( 45 °C)

vapor pressure

4 mmHg ( 45 °C)

vapor pressure

4 mmHg ( 45 °C)

expl. lim.

1.4-8.5 % (v/v)

expl. lim.

1.4 %, 20 °F

expl. lim.

1.4 %, 20 °F

expl. lim.

1.4 %, 20 °F

transition temp

flash point 64 °C

transition temp

-

transition temp

-

transition temp

-

Application

Benzaldehyde can be used as a reactant to synthesize:
  • β-amino ketone derivatives by Cu nanoparticles catalyzed one-pot, three-component Mannich reaction with various aromatic ketones and amines.
  • Enantioselective 1-phenyl-1-propanol by asymmetric addition of diethylzinc in the presence of fenchone-based derivatives as catalysts.
  • Benzoylborane by reacting with a boryl Grignard reagent (borylmagnesium).
  • Diethyl benzylidenemalonate by piperidine catalyzed reaction with diethyl malonate.

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.044 - 1.046
Identity (IR): passes test

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_germany

WGK 1

flash_point_f

145.4 °F

flash_point_c

63 °C


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Novel one-pot Cu-nanoparticles-catalyzed Mannich reaction
Kidwai M, et al.
Tetrahedron Letters, 50(12), 1355-1358 (2009)
Reactions under microwave conditions
Tetrahedron Organic Chemistry Series (2005)
Synthesis, structure of borylmagnesium, and its reaction with benzaldehyde to form benzoylborane.
Makoto Yamashita et al.
Journal of the American Chemical Society, 129(31), 9570-9571 (2007-07-17)
B Goldfuss et al.
The Journal of organic chemistry, 65(1), 77-82 (2000-05-18)
Three (-)-fenchyl alcohol derivatives, ¿(1R,2R,4S)-exo-(2-Ar)-1,3, 3-trimethylbicyclo[2.2.1] heptan-2-ol, Ar = o-anisyl (2), 2-N-methylimidazolyl (3), 2-N,N-dimethylbenzylamine (4)¿ were synthesized, characterized by X-ray analyses, and employed as precatalysts in diethyl zinc additions to benzaldehyde. Directions and relative degrees of enantioselectivities are rationalized by

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