4-Methyl-5-thiazolylethanyl octanoate supplier

Name
4-Methyl-5-thiazolylethanyl octanoate
EINECS
CAS No. 102175-98-4
Density 1.035g/cm³
Solubility
Melting Point
Formula C₁₄H₂₃NO₂S
Boiling Point 349.5 °C at 760 mmHg
Molecular Weight 325.516
Flash Point 165.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lauricacid, 2-(4-methyl-5-thiazolyl)ethyl ester (6CI);
PSA 67.43000
LogP 3.89770

4-Methyl-5-thiazolylethanyl octanoate Specification

The 4-Methyl-5-thiazolylethanyl octanoate, with cas registry number 102175-98-4, has the systematic name of octanoic acid, 1-(4-methyl-5-thiazolyl)ethyl ester. And it is also called 1-(4-Methyl-1,3-thiazol-5-yl)ethyl octanoate. What's more, its refractive index is 1.486-1.496.

Physical properties about this chemical are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 832.66; (6)ACD/BCF (pH 7.4): 833.96; (7)ACD/KOC (pH 5.5): 4284.27; (8)ACD/KOC (pH 7.4): 4290.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 75.94 cm³; (15)Molar Volume: 257.5 cm³; (16)Polarizability: 30.1×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Enthalpy of Vaporization: 59.4 kJ/mol; (19)Vapour Pressure: 4.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCC(=O)OC(C)c1c(ncs1)C
(2)InChI: InChI=1/C14H23NO2S/c1-4-5-6-7-8-9-13(16)17-12(3)14-11(2)15-10-18-14/h10,12H,4-9H2,1-3H3
(3)InChIKey: KKMBNMTWYQJQAC-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H23NO2S/c1-4-5-6-7-8-9-13(16)17-12(3)14-11(2)15-10-18-14/h10,12H,4-9H2,1-3H3
(5)Std. InChIKey: KKMBNMTWYQJQAC-UHFFFAOYSA-N

Product Name

4-Methyl-5-thiazolylethanyl octanoate

4-Methyl-5-thiazolylethanyl octanoate Specification

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