CAS No.135861-56-2,1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135861-56-2
Name:	1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol
Article Data:	7
Cas Database

Formula:	C₂₄H₃₀O₆
Molecular Weight:	414.499
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);
Density:	1.196 g/cm³
Melting Point:	>250oC
Boiling Point:	611.599 °C at 760 mmHg
Flash Point:	323.684 °C
Solubility:	40-47600ng/L at 20℃
Appearance:	white powder
PSA:	77.38000
LogP:	3.17020

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

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%

Raw Materials

5973-71-7

50-70-4

Total:110 Page 1 of 3 1 2 3 Next>>

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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