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| CAS No.: | 2599-01-1 |
|---|---|
| Name: | HEXADECYL TETRADECANOATE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C30H60O2 |
| Molecular Weight: | 452.805 |
| Synonyms: | Myristicacid, hexadecyl ester (7CI,8CI);1-Hexadecanol, myristate (8CI);Cetylmyristate;Hexadecyl myristate;Hexadecyl tetradecanoate;Myristic acid cetylester;Palmityl myristate;n-Hexadecyl n-tetradecanoate; |
| EINECS: | 220-001-1 |
| Density: | 0.859 g/cm3 |
| Boiling Point: | 484.942 °C at 760 mmHg |
| Flash Point: | 255.522 °C |
| PSA: | 26.30000 |
| LogP: | 10.71200 |
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Specification
This chemical is called Tetradecanoic acid, hexadecyl ester, and it can also be named as Cetyl myristate. With the molecular formula of C30H60O2, its molecular weight is 452.80. The CAS registry number of this chemical is 2599-01-1.
Other characteristics of the Tetradecanoic acid, hexadecyl ester can be summarised as followings: (1)ACD/LogP: 14.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 14.52; (4)ACD/LogD (pH 7.4): 14.52; (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: 28; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 142.8 cm3; (15)Molar Volume: 527.2 cm3; (16)Polarizability: 56.61×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 0.858 g/cm3; (19)Flash Point: 255.5 °C; (20)Enthalpy of Vaporization: 75.03 kJ/mol; (21)Boiling Point: 484.9 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
2.InChI: InChI=1/C30H60O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h3-29H2,1-2H3
3.InChIKey: QAKXLTNAJLFSQC-UHFFFAOYAS
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