Citroflex A-2

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Systematic / IUPAC Name: Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate

ID: Reference2664

Other Names: ATEC;
Uniplex 82;
O-Acetylcitric acid triethyl ester;
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester;
1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester ; more

Formula: C14H22O8

Class: Extractables/Leachables Industrial Chemicals Personal Care Products/Cosmetics Excipients/Additives/Colorants Textile Chemicals/Auxiliary/Dyes

Spectral Data

Citroflex A-2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 340
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 3/16/2016 1:04:16 PM
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Identificators

InChI InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
InChI Key WEAPVABOECTMGR-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
CAS 77894
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Other Names ATEC;
Uniplex 82;
O-Acetylcitric acid triethyl ester;
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester;
1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester;
1,2,3-Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate;
2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester;
Acetyltriethyl citrate;
Citric acid, acetyl triethyl ester;
Citric acid, triethyl ester, acetate;
Tricarballylic acid, β-acetoxytributyl ester;
Triethyl O-acetylcitrate;
Triethyl 2-acetoxy-1,2,3-propanetricarboxylate;
Triethyl acetylcitrate;
Triethyl citrate acetate

In Other Databases

ChemIDPlus 000077894
PubChem 6504
ChemSpider 6258
ChEMBL CHEMBL2105928