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Acetaldehyde diethyl acetal

analytical standard

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Synonym(s):
1,1-Diethoxyethane, Acetal
Linear Formula:
CH3CH(OC2H5)2
CAS Number:
105-57-7
Molecular Weight:
118.17
Beilstein:
1098310
EC Number:
203-310-6
MDL number:
MFCD00009243
PubChem Substance ID:
329758157
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

4.1 (vs air)

vapor pressure

20 mmHg ( 20 °C)
8 mmHg ( 8 °C)

Assay

≥98.0% (GC)

autoignition temp.

446 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

10.4 %

refractive index

n20/D 1.379-1.383 (lit.)

bp

102 °C (lit.)

density

0.831 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

SMILES string

CCOC(C)OCC

InChI

1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3

InChI key

DHKHKXVYLBGOIT-UHFFFAOYSA-N

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General description

Acetaldehyde diethyl acetal is one of the precursors utilized for the synthesis of fragrances and pharmaceutical products.

Application

Acetaldehyde diethyl acetal may be used as a reference standard for the determination of acetaldehyde diethyl acetal in:
  • Wine vinegars by headspace sorptive extraction−thermal desorption−gas chromatography−mass spectrometry (HSSE−TD−GC−MS).
  • Distilled spirits by GC with flame ionization detection (FID) as well as GC-FID-MS.
  • Organic red wines derived from Saccharomyces cerevisiae strains by GC-FID as well as HSSE-GC−MS.
  • Cognac (brandy) by HS-GC-MS.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225 - H315 - H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

68.0 °F - closed cup

Flash Point(C)

< 20 °C - closed cup

Regulatory Information

危险化学品

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Differences in concentration of principal volatile constituents in traditional Greek distillates
Apostolopoulou AA, et al.
Food Control, 16(2), 157-164 (2005)
Optimization and validation of headspace sorptive extraction for the analysis of volatile compounds in wine vinegars
Callejon RM, et al.
Journal of Chromatography A, 1204(1), 93-103 (2008)
Determination of the composition of volatiles in cognac (brandy) by headspace gas chromatography-mass spectrometry
Panosyan AG, et al.
Journal of Analytical Chemistry, 56(10), 945-952 (2001)
Synthesis of diethylacetal: thermodynamic and kinetic studies
Silva VMTM and Rodrigues AE
Chemical Engineering Science, 56(4), 1255-1263 (2001)
Volatile and sensory profile of organic red wines produced by different selected autochthonous and commercial Saccharomyces cerevisiae strains
Callejon RM, et al.
Analytica Chimica Acta, 660(1-2), 68-75 (2010)
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