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| CAS No.: | 627-83-8 |
|---|---|
| Name: | ETHYLENE GLYCOL DISTEARATE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C38H74O4 |
| Molecular Weight: | 595.003 |
| Synonyms: | Octadecanoicacid, 1,2-ethanediyl ester (9CI);Stearic acid, ethylene ester (6CI,7CI,8CI);Ethylene glycol, diester with stearic acid (6CI);Ethylene glycol, distearate(8CI);B-DSP 60;EGDS;Elfan L 310;Emanon 3201M;Estepearl 15V;Ethylene stearate;Glycol distearate;Glycolube674;Lipo EGDS;Mackester EGDS;NSC 6820;PK 3000AM;Pegnol EDS;Pegosperse 50DS;Unister E 275; |
| EINECS: | 211-014-3 |
| Density: | 0.897 g/cm3 |
| Melting Point: | 65 - 73oC |
| Boiling Point: | 632.8 °C at 760 mmHg |
| Flash Point: | 297.9 °C |
| Solubility: | almost insoluble in water, soluble in alcohol, acetone and ethyl ether |
| Appearance: | White or light yellow powder or flakes |
| PSA: | 52.60000 |
| LogP: | 12.59580 |
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ethylene glycol
- 57-11-4
stearic acid
A
- 111-60-4
ethylene glycol monostearate
B
- 627-83-8
octadecanoic acid, 1,2-ethanediyl ester
| Conditions | Yield |
|---|---|
| With nano sulfated-TiO2 In neat (no solvent) at 80℃; under 760.051 Torr; for 1.5h; | A 98% B n/a |
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 180℃; |
| Conditions | Yield |
|---|---|
| With sodium methylate; xylene |
| Conditions | Yield |
|---|---|
| at 180℃; | |
| With diethyl ether; magnesium |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide |
| Conditions | Yield |
|---|---|
| at 140℃; |
| Conditions | Yield |
|---|---|
| at 220 - 240℃; under 150 Torr; | |
| With aromatic sulfonic acid; benzene | |
| at 180 - 190℃; |
| Conditions | Yield |
|---|---|
| With solid acid catalyst at 230 - 260℃; for 4h; Temperature; Green chemistry; | |
| With methanesulfonic acid at 105℃; for 15h; |
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Specification
The IUPAC name of Octadecanoic acid,1,1'-(1,2-ethanediyl) ester is 2-octadecanoyloxyethyl octadecanoate. With the CAS registry number 627-83-8, it is also named as Ethylene glycol distearate. The classification code is Pharmaceutic aid [thickening agent]. It is white or light yellow powder or flakes which is almost insoluble in water, soluble in alcohol, acetone and ethyl ether. Additionally, this chemical should be sealed in the container and stored in the cool and dry place. Besides, it must be kept away from oxide, light and heat.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 16.95; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.95; (4)ACD/LogD (pH 7.4): 16.95; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 37; (8)Index of Refraction: 1.46; (9)Molar Refractivity: 181.64 cm3; (10)Molar Volume: 662.7 cm3; (11)Polarizability: 72.01×10-24 cm3; (12)Surface Tension: 33.4 dyne/cm; (13)Flash Point: 297.9 °C; (14)Enthalpy of Vaporization: 93.56 kJ/mol; (15)Boiling Point: 632.8 °C at 760 mmHg; (16)Vapour Pressure: 6.39E-16 mmHg at 25°C; (17)Rotatable Bond Count: 37; (18)Exact Mass: 594.558711; (19)MonoIsotopic Mass: 594.558711; (20)Topological Polar Surface Area: 52.6; (21)Heavy Atom Count: 42; (22)Complexity: 499.
Uses of Octadecanoic acid,1,1'-(1,2-ethanediyl) ester: It is used as an opacifier, pearlescing agent and viscosity modifier in cosmetic formulations and household product formulations.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
2. InChI:InChI=1/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
3. InChIKey:FPVVYTCTZKCSOJ-UHFFFAOYAD
4. Std. InChI:InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
5. Std. InChIKey:FPVVYTCTZKCSOJ-UHFFFAOYSA-N