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Merck
CN

00070

Acetaldehyde

anhydrous grade, ≥99.5% (GC), liquid, puriss. p.a.

Synonym(s):

Ethanal

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About This Item

Linear Formula:
CH3CHO
CAS Number:
Molecular Weight:
44.05
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39021102
UNSPSC Code:
12352100
EC Number:
200-836-8
MDL number:
Beilstein/REAXYS Number:
505984
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Product Name

Acetaldehyde, puriss. p.a., anhydrous, ≥99.5% (GC)

InChI key

IKHGUXGNUITLKF-UHFFFAOYSA-N

InChI

1S/C2H4O/c1-2-3/h2H,1H3

SMILES string

CC=O

biological source

synthetic

grade

anhydrous
puriss. p.a.

vapor density

1.52 (vs air)

vapor pressure

14.63 psi ( 20 °C)

assay

≥99.5% (GC)

form

liquid

autoignition temp.

365 °F

quality

anhydrous

expl. lim.

60 %

impurities

≤0.5% free acid (as CH3COOH)

evapn. residue

≤0.002%

refractive index

n20/D 1.332 (lit.)
n20/D 1.332

bp

21 °C (lit.)

mp

−125 °C (lit.)

density

0.785 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.5 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

functional group

aldehyde

storage temp.

2-8°C

Quality Level

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Application

Acetaldehyde may be used for the enzymatic synthesis of fatty acids.
It was used in the plasma polymerization for deposition of reactive aldehyde groups onto substrate, in a study to produce fibrous biomaterials with cell adhesive and also repulsive capability in biomedical applications. It was also used as calibration standard during determination of acetone, acetaldehyde, ethanol, and methanol in different human matrices, such as whole blood, vitreous humour, and urine using gas chromatography with flame ionization detection method (GC–FID).

Disclaimer

forms easily paraldehyde

General description

Acetaldehyde is an organic colorless flammable liquid. It can be produced by hydration of acetylene and by catalytic oxidation of ethyl alcohol. It is mainly used in manufacturing acetic acid.
Mechanism of the thermal decomposition of acetaldehyde has been reported. It is a product of ethanol metabolism in the liver, binds covalently to various proteins, thereby alters the liver function and structure. The aldol condensation of acetaldehyde and heptanal in the presence of hydrotalcite-type catalysts has been described.

signalword

Danger

Hazard Classifications

Carc. 1B - Eye Irrit. 2 - Flam. Liq. 1 - Muta. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-38.0 °F - closed cup

flash_point_c

-38.89 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品
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GC determination of acetone, acetaldehyde, ethanol, and methanol in biological matrices and cell culture.
Pontes, Helena, et al.
Journal of Chromatographic Science, 47.4, 272-278 (2009)
C S Lieber
Biochemical Society transactions, 16(3), 241-247 (1988-06-01)
Acetaldehyde, the toxic product of ethanol metabolism in the liver, covalently binds to a variety of proteins, thereby altering liver function and structure. Through its binding to tubulin, acetaldehyde decreases the polymerization of microtubules thereby impairing protein secretion and favouring
Bruce D. Craig, David S. Anderson
Handbook of Corrosion Data, 87-87 (1994)
THE ENZYMATIC SYNTHESIS OF FATTY ACIDS BY ALDOL CONDENSATION.
R O Brady
Proceedings of the National Academy of Sciences of the United States of America, 44(10), 993-998 (1958-10-15)
Raghu Sivaramakrishnan et al.
The journal of physical chemistry. A, 119(28), 7724-7733 (2015-03-21)
The mechanism for the thermal decomposition of acetaldehyde has been revisited with an analysis of literature kinetics experiments using theoretical kinetics. The present modeling study was motivated by recent observations, with very sensitive diagnostics, of some unexpected products in high

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