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| CAS No.: | 506-24-1 |
|---|---|
| Name: | Stearolic acid |
| Article Data: | 38 |
| Molecular Structure: | |
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| Formula: | C18H32O2 |
| Molecular Weight: | 280.451 |
| Synonyms: | Stearolicacid (6CI);9-Stearolic acid;Octadecanoic acid-9-yne; |
| EINECS: | 208-030-8 |
| Density: | 0.923 g/cm3 |
| Melting Point: | 46-47 °C |
| Boiling Point: | 405.2 °C at 760 mmHg |
| Flash Point: | 196.3 °C |
| Solubility: | Insoluble in water. |
| Safety: | 22-24/25 |
| PSA: | 37.30000 |
| LogP: | 5.55570 |
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Specification
The Stearolic acid, with the CAS registry number 506-24-1, is also known as 9-Octadecynoic acid. Its EINECS registry number is 208-030-8. This chemical's molecular formula is C18H32O2 and molecular weight is 280.45. Its IUPAC name is called octadec-9-ynoic acid. When you are using this chemical, please be cautious about it, you should not breathe its dust and avoid contacting it with skin and eyes.
Physical properties of Stearolic acid: (1)ACD/LogP: 6.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.99; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 13598.86; (6)ACD/BCF (pH 7.4): 217.91; (7)ACD/KOC (pH 5.5): 18737.36; (8)ACD/KOC (pH 7.4): 300.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 85.01 cm3; (14)Molar Volume: 303.5 cm3; (15)Surface Tension: 36.8 dyne/cm; (16)Density: 0.923 g/cm3; (17)Flash Point: 196.3 °C; (18)Enthalpy of Vaporization: 72.06 kJ/mol; (19)Boiling Point: 405.2 °C at 760 mmHg; (20)Vapour Pressure: 1.07E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-tetrahydropyranyloxy-9-octadecyne. This reaction will need reagent Jones reagent and solvent acetone. The reaction temperature is 0 ℃. The yield is about 95%.
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Uses of Stearolic acid: it can be used to produce octadec-9-yn-1-ol. This reaction will need reagent lithium alanate and diethyl ether.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC#CCCCCCCCC(=O)O
(2)InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
(3)InChIKey: RGTIBVZDHOMOKC-UHFFFAOYSA-N