Basic information
- Name:
Diethylene glycol monooleate
- CAS No.:
106-12-7
- Molecular Structure:
- Formula:
- C22H42O4
- Molecular Weight:
- 370.57
- Deleted CAS:
- 240111-06-2
- Synonyms:
- 9-Octadecenoicacid (Z)-, 2-(2-hydroxyethoxy)ethyl ester;Oleic acid, 2-(2-hydroxyethoxy)ethylester (6CI,7CI,8CI);Diethylene glycol, monooleate (8CI);2-(2-Hydroxyethoxy)ethyl monooleate;Atlas G 2139;Cithrol DGMO S/E;Diglycolmonooleate;2-(2-Hydroxyethoxy)ethyl oleate, pure;Polyoxyethylene (2) monooleate;Polyethylene glycol 100 monooleate;PEG 2 Oleate;Pegosperse 100 O;Plasticizer DGO;9-Octadecenoic acid (9Z)-, 2-(2-hydroxyethoxy)ethyl ester;
- EINECS:
- 203-364-0
- Density:
- 0.943 g/cm3
- Boiling Point:
- 472.2 °C at 760 mmHg
- Flash Point:
- 147.9 °C
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Specification
The Diethylene glycol monooleate, with the CAS registry number 106-12-7, is also known as 9-Octadecenoic acid (9Z)-, 2-(2-hydroxyethoxy)ethyl ester. Its EINECS number is 203-364-0. This chemical's molecular formula is C22H42O4 and molecular weight is 370.57. What's more, its IUPAC name is 2-(2-hydroxyethoxy)ethyl (Z)-octadec-9-enoate.
Physical properties of Diethylene glycol monooleate are: (1)ACD/LogP: 7.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.19; (4)ACD/BCF (pH 5.5): 170101.48; (5)ACD/KOC (pH 5.5): 193071.2; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 22; (9)Polar Surface Area: 44.76 Å2; (10)Index of Refraction: 1.467; (11)Molar Refractivity: 109.08 cm3; (12)Molar Volume: 392.6 cm3; (13)Surface Tension: 35.1 dyne/cm; (14)Density: 0.943 g/cm3; (15)Flash Point: 147.9 °C; (16)Enthalpy of Vaporization: 84.74 kJ/mol; (17)Boiling Point: 472.2 °C at 760 mmHg; (18)Vapour Pressure: 6.69E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCOCCO
(2)Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCO
(3)InChI: InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h9-10,23H,2-8,11-21H2,1H3/b10-9-
(4)InChIKey: PHDVPEOLXYBNJY-KTKRTIGZSA-N