30740
Dehydroacetic acid
≥98.0% (T)
Synonym(s):
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone
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About This Item
Empirical Formula (Hill Notation):
C8H8O4
CAS Number:
Molecular Weight:
168.15
Beilstein:
6129
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
≥98.0% (T)
form
powder
bp
270 °C (lit.)
mp
111-113 °C (lit.)
functional group
ester
ketone
SMILES string
CC(=O)C1C(=O)OC(C)=CC1=O
InChI
1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
InChI key
PGRHXDWITVMQBC-UHFFFAOYSA-N
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General description
Dehydroacetic acid is one of the food additives found in red wine and was determined by ultra-fast liquid chromatography-tandem quadrupole mass spectrometry (UFLC-MS/MS).
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
13 - Non Combustible Solids
WGK
WGK 1
Flash Point(F)
314.6 °F
Flash Point(C)
157 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Xiao-Hong Chen et al.
Journal of chromatography. A, 1263, 34-42 (2012-10-10)
A novel and effective dispersive solid-phase extraction (dSPE) procedure with rapid magnetic separation using ethylenediamine-functionalized magnetic polymer as an adsorbent was developed. The new procedure had excellent clean-up ability for the selective removal of the matrix in red wine. An
Ségolène De Vaugelade et al.
Rapid communications in mass spectrometry : RCM, 32(11), 862-870 (2018-03-10)
The present work is devoted to the structural elucidation of by-products issued from the direct ultraviolet-visible (UV-vis) irradiation of dehydroacetic acid (DHA) in solution and in cosmetic emulsion. Analyses were carried out using gas chromatography coupled with ion trap mass
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Yumei Zhang et al.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 29(6), 918-924 (2012-03-08)
A high-performance liquid chromatography (HPLC) method was developed to determine dehydroacetic acid (DHA) residues in chicken muscle, liver and kidney. DHA was extracted using acetonitrile, and clean-up performed using a strong anion exchange (PAX) SPE column. The cleaned-up samples were
E M Tjiou et al.
Magnetic resonance in chemistry : MRC, 43(7), 557-562 (2005-04-30)
The reaction between o-phenylenediamines, dehydroacetic acid and aromatic aldehydes is shown to give not only the expected 1,5-benzodiazepine derivative but also a 3,4-dihydroquinoxaline, the structure of which was determined by its 1H and 13C 1D and 2D NMR spectra.
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