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109-38-6

Basic Information
CAS No.: 109-38-6
Name: 2-BUTOXYETHYL STEARATE
Molecular Structure:
Molecular Structure of 109-38-6 (2-BUTOXYETHYL STEARATE)
Formula: C24H48O3
Molecular Weight: 384.64
Synonyms: Stearicacid, 2-butoxyethyl ester (6CI,7CI,8CI);Ethanol, 2-butoxy-, stearate (8CI);2-Butoxyethyl stearate;Butoxyglycol stearate;Butyl cellosolve stearate;Ethylene glycol butyl ether stearate;Kesscoflex BCS;
EINECS: 203-668-3
Density: 0.885 g/cm3
Boiling Point: 463.7 °C at 760 mmHg
Flash Point: 168.9 °C
PSA: 35.53000
LogP: 7.60780
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Specification

This chemical is called Octadecanoic acid,2-butoxyethyl ester, and its systematic name is 2-Butoxyethyl octadecanoate. With the molecular formula of C24H48O3, its molecular weight is 384.64. The CAS registry number of the chemical is 109-38-6. 

Other characteristics of Octadecanoic acid,2-butoxyethyl ester can be summarised as followings: (1)ACD/LogP: 10.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.01; (4)ACD/LogD (pH 7.4): 10.01; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6672584.5; (8)ACD/KOC (pH 7.4): 6672584.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 116.75 cm3; (15)Molar Volume: 434.5 cm3; (16)Polarizability: 46.28×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.885 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 72.5 kJ/mol; (21)Boiling Point: 463.7 °C at 760 mmHg; (22)Vapour Pressure: 8.87E-09 mmHg at 25°C. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCOCCCC)CCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C24H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h3-23H2,1-2H3
3.InChIKey: NHUXFMNHQIITCP-UHFFFAOYAD
4.Std. InChI: InChI=1S/C24H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h3-23H2,1-2H3
5.Std. InChIKey: NHUXFMNHQIITCP-UHFFFAOYSA-N