CAS No.22412-97-1,MYRISTYL LAURATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22412-97-1
Name:	MYRISTYL LAURATE
Article Data:	6

Formula:	C₂₆H₅₂O₂
Molecular Weight:	396.698
Synonyms:	Lauricacid, tetradecyl ester (8CI);Lauric acid tetradecan-1-yl ester;Myristyllaurate;Tetradecyl dodecanoate;Tetradecyl laurate;
EINECS:	244-966-3
Density:	0.86 g/cm³
Boiling Point:	438.7 °C at 760 mmHg
Flash Point:	225.6 °C
Solubility:	0.35ng/L at 25℃
PSA:	26.30000
LogP:	9.15160

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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