Dodecanoic acid, butyl ester supplier

Name
Dodecanoic acid, butyl ester
EINECS 203-370-3
CAS No. 106-18-3
Article Data27
CAS DataBase
Density 0.866 g/cm³
Solubility Soluble in water, 0.06006 mg/L @ 25°C.
Melting Point -10 °C(lit.)
Formula C₁₆H₃₂O₂
Boiling Point 305.524 °C at 760 mmHg
Molecular Weight 256.429
Flash Point 139.769 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lauricacid, butyl ester (6CI,7CI,8CI);Butyl dodecanoate;Butyl laurate;NSC 3920;n-Butyl laurate;
PSA 26.30000
LogP 5.25060

Dodecanoic acid, butyl ester 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

Product Name

Dodecanoic acid, butyl ester

Dodecanoic acid, butyl ester Specification

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