402788
Acetaldehyde
ACS reagent grade, ≥99.5%, liquid
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
Assay:
≥99.5%
Form:
liquid
Product Name
Acetaldehyde, ACS reagent, ≥99.5%
biological source
synthetic
Quality Level
grade
ACS reagent
vapor density
1.52 (vs air)
vapor pressure
14.63 psi ( 20 °C)
assay
≥99.5%
form
liquid
autoignition temp.
365 °F
expl. lim.
60 %
impurities
≤0.008 meq/g Titr. acid
evapn. residue
≤0.005%
refractive index
n20/D 1.332 (lit.)
bp
21 °C (lit.)
mp
−125 °C (lit.)
solubility
alcohols: soluble, water: miscible
density
0.785 g/mL at 25 °C (lit.)
functional group
aldehyde
storage temp.
2-8°C
SMILES string
CC=O
InChI
1S/C2H4O/c1-2-3/h2H,1H3
InChI key
IKHGUXGNUITLKF-UHFFFAOYSA-N
General description
Acetaldehyde is an industrially important solvent used as an intermediate for the synthesis of a wide range of compounds. On oxidation it forms acetic acid and ethanol on reduction. The interaction of Criegee intermediate (CH2OO) with acetaldehyde has been measured. Its effect as a neuroactive agent has been studied. Alkynylation reaction of acetaldehyde by asymmetric catalysis has been reported.
Application
Acetaldehyde may be used in the synthesis of 1,3-diamines by one-pot cross double-Mannich reaction and β-amino aldehydes by proline-catalyzed Mannich reaction.
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signalword
Danger
hcodes
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
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Direct measurement of Criegee intermediate (CH2OO) reactions with acetone, acetaldehyde, and hexafluoroacetone.
Taatjes CA, et al.
Physical Chemistry Chemical Physics, 14(30), 10391-10400 (2012)
Proline-catalysed Mannich reactions of acetaldehyde.
Yang JW, et al.
Nature, 452(7186), 453-455 (2008)
One-pot cross double-Mannich reaction of acetaldehyde catalyzed by a binaphthyl-based amino sulfonamide.
Kano T, et al.
Chemical Communications (Cambridge, England), 49(11), 1118-1120 (2013)