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Structure

Acetic acid-2,2,2-d3

CAS
1112-02-3
Catalog Number
ACM1112023
Category
Main Products
Molecular Weight
63.07
Molecular Formula
CD3CO2H

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Specification

Boiling Point
117 - 118 °C
Melting Point
16 °C
Density
1.049 g/cm³
Appearance
Colorles liquid

Acetic Acid-2,2,2-D3 as One of The Internal Standards for Chemical Analysis of Virgin Olive Oil

Lorenzo Guerrini, et al. European Journal of Lipid Science and Technology, 2017, 119(1), 1600156.

In order to study the effect of crusher speed on the properties of extra virgin olive oil, several chemical analysis methods were used to determine the main olive oil chemical parameters. These chemical parameters include free acidity, peroxide value, UV spectrophotometric index (K, K, DK), tocopherols, total phenolic compounds, and volatile compounds, etc. Among them, headspace-solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) was used to analyze volatile compounds, and acetic acid-2,2,2-d3 was one of the internal standards.
HS-SPME-GC-MS analysis
· The analysis utilized a GC-MS with a ZB-FFAP capillary column measuring 30 m in length, 0.25 mm internal diameter, and 0.25 mm film thickness. Seventy volatile compounds were detected by comparing their mass spectra and retention index with a external standard.
· The compounds were assessed using the ratio between the external standard and the appropriate internal standard. The internal standards chosen were 3,4-dimethylphenol, 2-methyl-4-pentanol, hexanoic acid-d11, 1-butanol-d10, ethyl acetate-d8, toluene-d8, ethyl hexanoate-d11, acetic acid-2,2,2-d3, 6-chloro-2-hexanone, 3-octanone, and trimethylacetaldehyde, each present in the sample at a concentration of 75 mg/kg.
· E2-Hexenal was used as the external standard for a dedicated calibration curve, consisting of six data points with E-2-Hexenal concentrations ranging from 0.56 to 56.06 mg/kg.

What is the molecular formula of acetic acid-2,2,2-d3?

The molecular formula of acetic acid-2,2,2-d3 is C2H4O2.

What is the molecular weight of acetic acid-2,2,2-d3?

The molecular weight of acetic acid-2,2,2-d3 is 63.07 g/mol.

What is the IUPAC name of acetic acid-2,2,2-d3?

The IUPAC name of acetic acid-2,2,2-d3 is 2,2,2-trideuterioacetic acid.

What is the InChI of acetic acid-2,2,2-d3?

The InChI of acetic acid-2,2,2-d3 is InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3.

What is the InChIKey of acetic acid-2,2,2-d3?

The InChIKey of acetic acid-2,2,2-d3 is QTBSBXVTEAMEQO-FIBGUPNXSA-N.

What is the canonical SMILES representation of acetic acid-2,2,2-d3?

The canonical SMILES representation of acetic acid-2,2,2-d3 is CC(=O)O.

What is the CAS number of acetic acid-2,2,2-d3?

The CAS number of acetic acid-2,2,2-d3 is 1112-02-3.

What is the EC number of acetic acid-2,2,2-d3?

The EC number of acetic acid-2,2,2-d3 is 663-828-7.

What is the XLogP3-AA value of acetic acid-2,2,2-d3?

The XLogP3-AA value of acetic acid-2,2,2-d3 is -0.2.

How many hydrogen bond donor counts does acetic acid-2,2,2-d3 have?

Acetic acid-2,2,2-d3 has 1 hydrogen bond donor count.

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