Basic information
- Name:
Octadecanoic acid,1,1'-(1,2-ethanediyl) ester
- Superlist Name:
- Ethylene glycol distearate
- CAS No.:
627-83-8
- Molecular Structure:
- Formula:
- C38H74O4
- Molecular Weight:
- 594.99
- 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
- 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
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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