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Cas Database |
| Name |
1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol |
EINECS | N/A |
| CAS No. | 135861-56-2 | Density | 1.196 g/cm3 |
| PSA | 77.38000 | LogP | 3.17020 |
| Solubility | 40-47600ng/L at 20℃ | Melting Point |
>250oC |
| Formula | C24H30O6 | Boiling Point | 611.599 °C at 760 mmHg |
| Molecular Weight | 414.499 | Flash Point | 323.684 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
D-Glucitol,1,3:2,4-bis-O-[(3,4-dimethylphenyl) methylene]-;Millad 3988;Nucleating Agent NA-3;di-(3,4-dimethylbenzylidene) sorbitol;Sorbitol-based;1,3:2,4-bis-O-(3,4-dimethylbenzylidene)-D-sorbitol(DMDBS); |
Article Data | 7 |
1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol Synthetic route
- 5973-71-7
3,4-dimethylbenzaldehyde
- 50-70-4
D-sorbitol
- 135861-56-2
1,3:2,4-di-O-(3,4-dimethylbenzylidene)-D-sorbitol
| Conditions | Yield |
|---|---|
| toluene-4-sulfonic acid In acetonitrile at 20℃; for 12h; Product distribution / selectivity; | 99% |
| With trimethyl orthoformate; bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 48h; Product distribution / selectivity; | 99% |
| With trimethyl orthoformate; bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 49h; Product distribution / selectivity; Heating / reflux; | 99% |
1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol Specification
The 1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol is an organic compound with the formula C24H30O6. With the CAS registry number 135861-56-2, the systematic name of this chemical is 1-[2,6-bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol (non-preferred name). Besides, it is secondary generation of sorbierite type of polyolefine Nucleating agent. Moreover, it also can be used in rubber, chemical fiber, textile, printing, coating, and pigment, etc.
Physical properties about 1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 25913; (6)ACD/BCF (pH 7.4): 25913; (7)ACD/KOC (pH 5.5): 50210; (8)ACD/KOC (pH 7.4): 50210; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 77.38 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 112.633 cm3; (15)Molar Volume: 346.684 cm3; (16)Polarizability: 44.651×10-24cm3; (17)Surface Tension: 44.477 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 323.684 °C; (20)Enthalpy of Vaporization: 95.474 kJ/mol; (21)Boiling Point: 611.599 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(C3OC(OCC3OC1c2ccc(c(c2)C)C)c4ccc(c(c4)C)C)C(O)CO
(2)InChI: InChI=1/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3
(3)InChIKey: YWEWWNPYDDHZDI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3
(5)Std. InChIKey: YWEWWNPYDDHZDI-UHFFFAOYSA-N
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