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8.01756

Sigma-Aldrich

Benzaldehyde

for synthesis

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

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.
[21]
  • Enantioselective 1-phenyl-1-propanol by asymmetric addition of diethylzinc in the presence of fenchone-based derivatives as catalysts.
  • [63]
  • Benzoylborane by reacting with a boryl Grignard reagent (borylmagnesium).
  • [52]
  • Diethyl benzylidenemalonate by piperidine catalyzed reaction with diethyl malonate.
  • [22]

    Analysis Note

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

    Pictograms

    Exclamation mark

    Signal Word

    Warning

    Hazard Classifications

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

    Target Organs

    Respiratory system

    Storage Class Code

    10 - Combustible liquids

    WGK

    WGK 1

    Flash Point(F)

    145.4 °F

    Flash Point(C)

    63 °C

    Certificate of Analysis

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