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| CAS No.: | 3443-82-1 |
|---|---|
| Name: | 2-LINOLEOYL-RAC-GLYCEROL |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C21H38O4 |
| Molecular Weight: | 354.53 |
| Synonyms: | 9,12-Octadecadienoicacid (Z,Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester;Linolein, 2-mono-(6CI,7CI,8CI);2-Linoleoylglycerol;2-Monolinolein;2-Monolinoleoylglycerol;b-Monolinolein; |
| Density: | 0.981 g/cm3 |
| Melting Point: | 9°C |
| Boiling Point: | 485 °C at 760 mmHg |
| Flash Point: | 157 °C |
| Hazard Symbols: | F,Xn |
| Risk Codes: | 11-20/21/22-36 |
| Safety: | 16-36/37 |
| PSA: | 66.76000 |
| LogP: | 4.69630 |
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Specification
This chemical is called 9,12-Octadecadienoicacid (9Z,12Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, and its systematic name is 2-hydroxy-1-(hydroxymethyl)ethyl (9Z,12Z)-octadeca-9,12-dienoate. With the molecular formula of C21H38O4, its molecular weight is 354.52. The CAS registry number of this chemical is 3443-82-1. Additionally, its product categories are Mixed Fatty Acids; Fatty Acid Derivatives & Lipids; Glycerols.
Other characteristics of the 9,12-Octadecadienoicacid (9Z,12Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester can be summarised as followings: (1)ACD/LogP: 6.42; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 20; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.488; (8)Molar Refractivity: 104.25 cm3; (9)Molar Volume: 361.2 cm3; (10)Polarizability: 41.33×10-24cm3; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 0.981 g/cm3; (13)Flash Point: 157 °C; (14)Enthalpy of Vaporization: 86.47 kJ/mol; (15)Boiling Point: 485 °C at 760 mmHg; (16)Vapour Pressure: 1.91E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(CO)CO)CCCCCCC\C=C/C\C=C/CCCCC
2.InChI: InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
3.InChIKey:IEPGNWMPIFDNSD-HZJYTTRNBY