Molecular Formula:
Molecular Weight:
Olfactive Family:
Fruity | Green
Odor description:
A green, fruity, vegetable odor.
Taste description:
Sweet, fruity, green.
97.0% (sum of isomers)
colorless liquid
(* Alt. CAS #) CAS: 26563-74-6; 4-Methyl-2-pentyl-1,3-dioxolan, 1,3-Dioxolane, 4-methyl-2-pentyl-, 2-Amyl-4-methyl-1,3-dioxolane, 4-Methyl-2-pentyl-1,3-dioxolan, 4-METHYL-2-PENTYL-1,3-DIOXOLANE, FEMA CAS: 26563-74-6, Hexaldehyde propylene glycol acetal, H
Insoluble in water; soluble in alcohol.
Store tightly sealed under inert gas in a cool, well-ventilated area.
Shelf Life:
24 months from manufacture date
Boiling Point:
197.85 C (EPI 4.0)
0.893 : 0.900 at 25 deg C
Refractive index:
1.418 : 1.425 at 20 deg C
1.Application of acetone acetals as water scavengers and derivatization agents prior to the gas chromatographic analysis of polar residual solvents in aqueous samples.
van Boxtel N1, Wolfs K1, Van Schepdael A1, Adams E2. J Chromatogr A. 2015 Dec 18;1425:62-72. doi: 10.1016/j.chroma.2015.11.020. Epub 2015 Nov 12.
The sensitivity of gas chromatography (GC) combined with the full evaporation technique (FET) for the analysis of aqueous samples is limited due to the maximum tolerable sample volume in a headspace vial. Using an acetone acetal as water scavenger prior to FET-GC analysis proved to be a useful and versatile tool for the analysis of high boiling analytes in aqueous samples. 2,2-Dimethoxypropane (DMP) was used in this case resulting in methanol and acetone as reaction products with water. These solvents are relatively volatile and were easily removed by evaporation enabling sample enrichment leading to 10-fold improvement in sensitivity compared to the standard 10μL FET sample volumes for a selection of typical high boiling polar residual solvents in water. This could be improved even further if more sample is used. The method was applied for the determination of residual NMP in an aqueous solution of a cefotaxime analogue and proved to be considerably better than conventional static headspace (sHS) and the standard FET approach.
2.Solvent-Dictated Lithium Sulfur Redox Reactions: An Operando UV-vis Spectroscopic Study.
Zou Q1, Lu YC1. J Phys Chem Lett. 2016 Apr 12:1518-1525. [Epub ahead of print]
Fundamental understanding of solvent's influence on Li-S redox reactions is required for rational design of electrolyte for Li-S batteries. Here we employ operando UV-vis spectroscopy to reveal that Li-S redox reactions in high-donor-number solvents, for example, dimethyl sulfoxide (DMSO), undergo multiple electrochemical and chemical reactions involving S82-, S62-, S42-, and S3•-, where S3•- is the most stable and dominant reaction intermediate. In low-donor-number solvents, for example, 1,3-dioxolane:1,2-dimethoxyethane, the dominant reaction intermediate, is found to be S42-. The stability of these main polysulfide intermediates determines the reaction rates of the disproportionation/dissociation/recombination of polysulfides and thereby affects the reaction rates of the Li-S batteries. As an example, we show that dimethylformamide, a high-donor-number solvent, which exhibits stronger stabilization of S3•- compared with DMSO, significantly reduces Li-S cell polarization compared with DMSO.
3.Crystal structure of 3-de-oxy-3-nitro-methyl-1,2;5,6-di-O-iso-propyl-idene-α-d-allo-furan-ose.
Lugiņina J1, Rjabovs V1, Stepanovs D2. Acta Crystallogr E Crystallogr Commun. 2016 Feb 10;72(Pt 3):314-7. doi: 10.1107/S2056989016001845. eCollection 2016.
The title compound, C13H21NO7 {systematic name: (3aR,5S,6R,6aR)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nitro-meth-yl)tetra-hydro-furo[2,3-d][1,3]dioxole}, consists of a substituted 2,2-di-methyl-tetra-hydro-furo[2,3-d][1,3]dioxolane skeleton. The furan-ose ring A adopts a (o)T 4 conformation. The fused dioxolane ring B and the substituent dioxolane ring C also have twisted conformations. There are no strong hydrogen bonds in the crystal structure: only weak C-H⋯O contacts are present, which link the mol-ecules to form a three-dimensional structure.
4.Bispidin-9,9-diol Analogues of Cisplatin, Carboplatin, and Oxaliplatin: Synthesis, Structures, and Cytotoxicity.
Cui H1, Goddard R1, Pörschke KR1, Hamacher A2, Kassack MU2. Inorg Chem. 2016 Mar 21;55(6):2986-97. doi: 10.1021/acs.inorgchem.5b02855. Epub 2016 Feb 26.
3,7-Diallyl-bispidin-9-one (6) (bispidin-9-one = 3,7-diazabicyclo[3.3.1]nonan-9-one) is converted to N-unsubstituted spiro[bispidin-9,2'-[1,3]dioxolane] (12; 35%). The ketal crystallizes in the forms of anhydrous 12a and the dihydrate 12b. The molecules in anhydrous 12a are linked to each other, forming N1-H1···N2-H2···N1* hydrogen-bond chiral helices of alternating chirality. In the dihydrate 12b, the ketal molecules are connected to a central string of water molecules by O3-H···O1 and O4-H···N1 hydrogen bonds, but not to themselves. Reaction of 12 with (1,5-hexadiene)PtCl2 affords almost quantitatively spiro[bispidin-9,2'-[1,3]dioxolane]PtCl2 (13). Cleavage of the ketal to retrieve the ketone produces the geminal diol (bispidin-9,9-diol)PtCl2 (14; 85%). Compound 14 reacts with Ag2cbdca (cbdca = 1,1-cyclobutanedicarboxylate) to give the dihydrate (bispidin-9,9-diol)Pt(cbdca)·2H2O (15b), which can be dehydrated to obtain anhydrous (bispidin-9,9-diol)Pt(cbdca) (15a).
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