Cas no 126-40-9 (1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-trioctyl ester)
126-40-9 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-trioctyl ester
CAS No:126-40-9
MF:C32H58O8
MW:570.798131465912
CID:117287
Update Time:2024-11-26
1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-trioctyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-trioctyl ester
- 2-(2-acetyloxy-2-oxoethyl)-4-(3,4-diethyloctan-3-yloxy)-2-hydroxy-4-oxobutanoate
- ACETYL TRIETHYLHEXYL CITRATE
- 3-O-Acetylcitric acid trioctyl ester
- 2-Acetoxy-1,2,3-propanetricarboxylic acid trioctyl ester
- 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trioctyl ester
-
- Inchi： 1S/C32H58O8/c1-5-8-11-14-17-20-23-37-29(34)26-32(40-28(4)33,31(36)39-25-22-19-16-13-10-7-3)27-30(35)38-24-21-18-15-12-9-6-2/h5-27H2,1-4H3
- InChI Key： JDEJTJLMUHXZAF-UHFFFAOYSA-N
- SMILES： C(C(OCCCCCCCC)=O)C(OC(C)=O)(C(OCCCCCCCC)=O)CC(OCCCCCCCC)=O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 15
- Complexity: 547
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: -1
- Tautomer Count: nothing
- XLogP3: 3.9
Experimental Properties
- Density: 1.000±0.06 g/cm3(Predicted)
- Boiling Point: 569.2±45.0 °C(Predicted)
1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-trioctyl ester Related Literature
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S. Harrison Analyst 1967 92 773
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Nathanael Lau,Yohei Sano,Joseph W. Ziller,A. S. Borovik Dalton Trans. 2018 47 12362
126-40-9 (1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-trioctyl ester) Related Products
- 77-93-0(Triethyl citrate)
- 77-94-1(Tributyl citrate)
- 24817-92-3(trihexyl O-acetylcitrate)
- 82469-79-2(trihexyl O-butyrylcitrate)
- 126121-35-5(1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester)
- 144-15-0(Acetyl trioctyl citrate)
- 77-89-4(Triethyl O-Acetylcitrate)
- 19958-02-2(Citric Acid 1,2-Diethyl Ester)
- 77-90-7(Tributyl O-Acetylcitrate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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