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Dodecanoic acid,tetradecyl ester

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Name

Dodecanoic acid,tetradecyl ester

EINECS 244-966-3
CAS No. 22412-97-1 Density 0.86 g/cm3
PSA 26.30000 LogP 9.15160
Solubility 0.35ng/L at 25℃ Melting Point N/A
Formula C26H52O2 Boiling Point 438.7 °C at 760 mmHg
Molecular Weight 396.698 Flash Point 225.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 22412-97-1 (MYRISTYL LAURATE) Hazard Symbols N/A
Synonyms

Lauricacid, tetradecyl ester (8CI);Lauric acid tetradecan-1-yl ester;Myristyllaurate;Tetradecyl dodecanoate;Tetradecyl laurate;

Article Data 6

Dodecanoic acid,tetradecyl ester Specification

The CAS registry number of Dodecanoic acid,tetradecyl ester is 22412-97-1. This chemical is also named as Myristyllaurate. Its EINECS registry number is 244-966-3. In addition, its molecular formula is C26H52O2 and molecular weight is 396.69. Its systematic name and IUPAC name are the same which is called tetradecyl dodecanoate.

Physical properties about Dodecanoic acid,tetradecyl ester are: (1)ACD/LogP: 12.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.4; (4)ACD/LogD (pH 7.4): 12.4; (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: 24; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 124.27 cm3; (14)Molar Volume: 461.1 cm3; (15)Surface Tension: 31.3 dyne/cm; (16)Density: 0.86 g/cm3; (17)Flash Point: 225.6 °C; (18)Enthalpy of Vaporization: 69.55 kJ/mol; (19)Boiling Point: 438.7 °C at 760 mmHg.

Preparation: this chemical can be prepared by dodecanoic acid and tetradecan-1-ol. This reaction will need reagent p-dodecylbenzenesulfonic acid and solvent H2O. The reaction time is 48 hours with reaction temperature of 40 °C. The yield is about 99 %.

Dodecanoic acid,tetradecyl ester can be prepared by dodecanoic acid and tetradecan-1-ol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCC)CCCCCCCCCCC
(2)InChI: InChI=1/C26H52O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-12-10-8-6-4-2/h3-25H2,1-2H3
(3)InChIKey: FNMPODAQERUMDD-UHFFFAOYAO

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