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74815-67-1

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Basic Information
CAS No.: 74815-67-1
Name: 12-HYDROXYSTEARIC ACID ETHYL ESTER
Article Data: 4
Molecular Structure:
Molecular Structure of 74815-67-1 (12-HYDROXYSTEARIC ACID ETHYL ESTER)
Formula: C20H40O3
Molecular Weight: 328.536
Synonyms: Ethyl12-hydroxystearate;Ethyl DL-12-hydroxyoctadecanoate;
Density: 0.912 g/cm3
Melting Point: 51-51.3 °C
Boiling Point: 414.3 °C at 760 mmHg
Flash Point: 152.3 °C
PSA: 46.53000
LogP: 5.78180
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Specification

The Octadecanoic acid,12-hydroxy-, ethyl ester is an organic compound with the formula C20H40O3. The systematic name of this chemical is ethyl 12-hydroxyoctadecanoate. With the CAS registry number 74815-67-1, it is also named as 12-Hydroxystearic acid ethyl ester.

Physical properties about Octadecanoic acid,12-hydroxy-, ethyl ester are: (1)ACD/LogP: 7.02; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 19; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.456; (8)Molar Refractivity: 97.97 cm3; (9)Molar Volume: 360 cm3; (10)Polarizability: 38.84×10-24cm3; (11)Surface Tension: 33.5 dyne/cm; (12)Density: 0.912 g/cm3; (13)Flash Point: 152.3 °C; (14)Enthalpy of Vaporization: 77.08 kJ/mol; (15)Boiling Point: 414.3 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCCCCCCCCC(O)CCCCCC
(2)InChI: InChI=1/C20H40O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h19,21H,3-18H2,1-2H3
(3)InChIKey: FAUQJFRSOKONGU-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C20H40O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h19,21H,3-18H2,1-2H3
(5)Std. InChIKey: FAUQJFRSOKONGU-UHFFFAOYSA-N