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12015

Sigma-Aldrich

Benzaldehyde

purum, ≥98.0% (GC)

Synonym(s):

Bitter almond

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About This Item

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
PubChem Substance ID:
329749594

vapor density

3.7 (vs air)

vapor pressure

4 mmHg ( 45 °C)

grade

purum

Assay

≥98.0% (GC)

autoignition temp.

374 °F

expl. lim.

1.4 %, 20 °F

impurities

chlorine, none detected

refractive index

n20/D 1.545 (lit.)
n20/D 1.545

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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Other Notes

Sales restrictions may apply

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBB2944
1451059
1445950
1426282
1409545

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An analytical model for the prediction of the local concentration of cryophylactic agents in perfused organs.
B Rubinsky et al.
Cryobiology, 16(4), 362-371 (1979-08-01)
Structure and electronic nature of the benzaldehyde/boron trifluoride adduct.
M T Reetz et al.
Journal of the American Chemical Society, 108(9), 2405-2408 (1986-04-01)
Determination of base properties of hydrotalcites: condensation of benzaldehyde with ethyl acetoacetate.
Corma A, et al.
J. Catal., 134(1), 58-65 (1992)
A green process for chlorine-free benzaldehyde from the solvent-free oxidation of benzyl alcohol with molecular oxygen over a supported nano-size gold catalyst.
Choudhary VR, et al.
Green Chemistry, 7(11), 768-770 (2005)
Porphyrinogens and porphodimethenes, intermediates in the synthesis of meso-tetraphenylporphins from pyrroles and benzaldehyde.
Dolphin D.
Journal of Heterocyclic Chemistry, 7, 275-283 (1970)
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