Detail of "7371-86-0"
- CAS Number:
- 7371-86-0
- Name:
2,4-Pentanediol,2,4-diacetate
- Molecular Structure:
- Formula:
- C9H16O4
- Molecular Weight:
- 188.22
- Synonyms:
- 4-Acetyloxypentan-2-yl acetate;2,4-Diacetoxypentane;
- Density:
- 1.018 g/cm3
- Boiling Point:
- 236.7 °C at 760 mmHg
- Flash Point:
- 108 °C
2,4-Pentanediol,2,4-diacetate
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Reference
- Quantum-chemical study of the structure of the acetate group in polymers using the PCILO method
- Quantum-chemical study of the structure of the acetate group in polymers using the PCILO method. Alig, I.; Lochmann, R.; Wartewig, S. (Sekt. Phys., Tech. Hochsch. "Carl Schorlemmer", Merseburg DDR-4200, Ger. Dem. Rep.). Acta Polym., 35(7), 493-7 (German) 1984. CODEN: ACPODY. DOCUMENT TYPE: Journal CA Section: 36 (Physical Properties of Synthetic High Polymers) Section cross-reference(s): 22 The quantum-chem. PCILO method was used to calc. the geom. structure and stability of various conformations of OAc groups in racemic 2,4-diacetoxypentane [7371-86-0] as a model for poly(vinyl acetate) [9003-20-7]. The results were compared with exptl. data for low-mol.-wt. analogs. Two types of localization for both free valence electron pairs were assumed, each of which had the correct behavior for a partially optimized geometry. The total energy of various conformations and geometries indicated that the assumption of free electron pairs of the s and p types on the ester O atom was most favorable.