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| CAS No.: | 1330-70-7 |
|---|---|
| Name: | 2-HYDROXYOCTADECANOIC ACID |
| Molecular Structure: | |
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| Formula: | C18H36O3 |
| Molecular Weight: | 300.48 |
| Synonyms: | Cenwax A;Edenor DSSG;Hydroxyoctadecanoic acid;Hydroxystearic acid;Hyfac 12;Monohydroxystearic acid; |
| EINECS: | 215-545-1 |
| Density: | 0.944g/cm3 |
| Boiling Point: | 433.9°C at 760 mmHg |
| Flash Point: | 230.4°C |
| PSA: | 57.53000 |
| LogP: | 5.30330 |
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- Total:26 Page 1 of 1 1
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Specification
The Octadecanoic acid,hydroxy-, with CAS registry number 1330-70-7, has the systematic name of 2-hydroxyoctadecanoic acid. Besides this, it is also called A-Hydroxystearic acid. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C18H36O3. What's more, its EINECS is 215-545-1.
Physical properties of Octadecanoic acid,hydroxy-: (1)ACD/LogP: 7.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 1551.08; (6)ACD/BCF (pH 7.4): 54.44; (7)ACD/KOC (pH 5.5): 1686.18; (8)ACD/KOC (pH 7.4): 59.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 88.49 cm3; (15)Molar Volume: 318.1 cm3; (16)Polarizability: 35.08×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 229.6 °C; (20)Enthalpy of Vaporization: 79.48 kJ/mol; (21)Boiling Point: 432.6 °C at 760 mmHg; (22)Vapour Pressure: 2.67E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
(3)InChIKey: KIHBGTRZFAVZRV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
(5)Std. InChIKey: KIHBGTRZFAVZRV-UHFFFAOYSA-N