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CAS No.: | 20834-06-4 |
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Name: | PALMITYL LAURATE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C28H56O2 |
Molecular Weight: | 424.751 |
Synonyms: | Lauricacid, hexadecyl ester (6CI,8CI);1-Hexadecanol, laurate (8CI);Cetyl laurate;Hexadecyl dodecanoate;Hexadecyl laurate; |
EINECS: | 244-071-8 |
Density: | 0.859 g/cm3 |
Melting Point: | 40-41 °C |
Boiling Point: | 462.2 °C at 760 mmHg |
Flash Point: | 240.8 °C |
PSA: | 26.30000 |
LogP: | 9.93180 |
The CAS registry number of Dodecanoicacid, hexadecyl ester is 20834-06-4. This chemical is also named as Hexadecyl laurate. Its EINECS registry number is 244-071-8. In addition, its molecular formula is C28H56O2 and molecular weight is 424.74. Its systematic name and IUPAC name are the same which is called hexadecyl dodecanoate.
Physical properties about Dodecanoicacid, hexadecyl ester are: (1)ACD/LogP: 13.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.46; (4)ACD/LogD (pH 7.4): 13.46; (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: 26; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 133.54 cm3; (14)Molar Volume: 494.2 cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Density: 0.859 g/cm3; (17)Flash Point: 240.8 °C; (18)Enthalpy of Vaporization: 72.32 kJ/mol; (19)Boiling Point: 462.2 °C at 760 mmHg.
Preparation: this chemical can be prepared by dodecanoic acid and hexadecan-1-ol. This reaction will need catalyst lipase and solvent hexane. The reaction time is 4 hours. The yield is about 94 %.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCC
(2)InChI: InChI=1/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3
(3)InChIKey: VWOKINHIVGKNRX-UHFFFAOY