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| CAS No.: | 106-18-3 |
|---|---|
| Name: | Dodecanoic acid, butyl ester |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C16H32O2 |
| Molecular Weight: | 256.429 |
| Synonyms: | Lauricacid, butyl ester (6CI,7CI,8CI);Butyl dodecanoate;Butyl laurate;NSC 3920;n-Butyl laurate; |
| EINECS: | 203-370-3 |
| Density: | 0.866 g/cm3 |
| Melting Point: | -10 °C(lit.) |
| Boiling Point: | 305.524 °C at 760 mmHg |
| Flash Point: | 139.769 °C |
| Solubility: | Soluble in water, 0.06006 mg/L @ 25°C. |
| PSA: | 26.30000 |
| LogP: | 5.25060 |
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Specification
The Dodecanoic acid, butyl ester, with the CAS registry number 106-18-3, is also known as n-Butyl laurate. Its EINECS number is 203-370-3. This chemical's molecular formula is C16H32O2 and molecular weight is 151.21. What's more, its systematic name is butyl dodecanoate. It should be sealed and stored in a cool, ventilated and dry place. It should be ensured that the workshop is well ventilated or equipped with exhaust devices. What's more, it should be protected from oxides, heat, light and fire. It is used as spices and organic intermediates.
Physical properties of Dodecanoic acid, butyl ester are: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/BCF (pH 5.5): 142644.31; (5)ACD/KOC (pH 5.5): 170212.84; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 14; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.439; (11)Molar Refractivity: 77.94 cm3; (12)Molar Volume: 296.1 cm3; (13)Surface Tension: 30 dyne/cm; (14)Density: 0.865 g/cm3; (15)Flash Point: 139.8 °C; (16)Enthalpy of Vaporization: 54.6 kJ/mol; (17)Boiling Point: 305.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000817 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)OCCCC
(2)InChI: InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
(3)InChIKey: NDKYEUQMPZIGFN-UHFFFAOYSA-N