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17661-50-6

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Basic Information
CAS No.: 17661-50-6
Name: CETYL ESTERS WAX
Article Data: 7
Molecular Structure:
Molecular Structure of 17661-50-6 (CETYL ESTERS WAX)
Formula: C32H64O2
Molecular Weight: 480.859
Synonyms: Tetradecyl stearate;Stearicacid, tetradecyl ester (8CI);1-Tetradecanol, stearate (8CI);Myristylstearate;NSC 57589;Tetradecyl octadecanoate;
EINECS: 241-640-2
Density: 0.858 g/cm3
Melting Point: 50.1 °C
Boiling Point: 507 °C at 760 mmHg
Flash Point: 269.8 °C
PSA: 26.30000
LogP: 11.49220
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Specification

The Tetradecyl stearate, with the CAS registry number 17661-50-6, is also known as Octadecanoic acid, tetradecyl ester. Its EINECS registry number is 241-640-2. This chemical's molecular formula is C32H64O2 and molecular weight is 480.84936. Its IUPAC name is called tetradecyl octadecanoate. This chemical's classification code is Skin / Eye Irritant.

Physical properties of Tetradecyl stearate: (1)ACD/LogP: 15.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.59; (4)ACD/LogD (pH 7.4): 15.59; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 30; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 152.07 cm3; (13)Molar Volume: 560.2 cm3; (14)Surface Tension: 31.7 dyne/cm; (15)Density: 0.858 g/cm3; (16)Flash Point: 269.8 °C; (17)Enthalpy of Vaporization: 77.7 kJ/mol; (18)Boiling Point: 507 °C at 760 mmHg; (19)Vapour Pressure: 2.12E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
(3)InChIKey: MHXBHWLGRWOABW-UHFFFAOYSA-N