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Merck
CN

8.01756

Benzaldehyde

for synthesis

Synonym(s):

Benzaldehyde, Bitter almond oil

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About This Item

Empirical Formula (Hill Notation):
C7H6O
CAS Number:
Molecular Weight:
106.12
UNSPSC Code:
12352114
EC Index Number:
202-860-4
NACRES:
NA.22
MDL number:
Assay:
≥99.0% (GC)
Grade:
synthesis grade
Bp:
179 °C/1013 hPa
Vapor pressure:
1.3 hPa ( 20 °C)
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grade

synthesis grade

Quality Segment

vapor pressure

1.3 hPa ( 20 °C)

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)

dilution

(for synthesis)

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

SMILES string

O=Cc1ccccc1

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.
  • 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


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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



Certificates of Analysis (COA)

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