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CAS No.: | 41755-58-2 |
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Name: | TRIACONTYL ACETATE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C33H66O2 |
Molecular Weight: | 480.859 |
Synonyms: | 1-Triacontanol,acetate (6CI,7CI,9CI);Triacontyl acetate;Melissyl acetate; |
Density: | 0.858 g/cm3 |
Boiling Point: | 436.4 °C at 760 mmHg |
Flash Point: | 191.2 °C |
PSA: | 26.30000 |
LogP: | 11.49220 |
The 1-Triacontanol, 1-acetate, with the CAS registry number of 41755-58-2, is also known as 1-Triacontanol, acetate. It belongs to the product categories of Alcohol Acetates; Esters; Saturated Fatty Acids and Derivatives. This chemical's molecular formula is C33H66O2 and molecular weight is 494.88. What's more, its systematic name is called Triacontyl acetate. Besides, it should be stored at 2-8 °C.
Physical properties about 1-Triacontanol, 1-acetate are: (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)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 152.07 cm3; (15)Molar Volume: 560.2 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.858 g/cm3; (18)Flash Point: 191.2 °C; (19)Enthalpy of Vaporization: 69.29 kJ/mol; (20)Boiling Point: 436.4 °C at 760 mmHg; (21)Vapour Pressure: 8.11E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
(2) InChI: InChI=1/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-32(2)33/h3-31H2,1-2H3
(3) InChIKey: OVQVOKLGCDAZBX-UHFFFAOYAG