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CAS No.: | 52849-47-5 |
---|---|
Name: | 2-(2-hydroxyethoxy)ethyl myristate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C18H36O4 |
Molecular Weight: | 316.481 |
Synonyms: | Diethylene glycol monomyristate;Myristic acid 3-oxa-5-hydroxypentane-1-yl ester; |
EINECS: | 258-223-6 |
Density: | 0.95 g/cm3 |
Boiling Point: | 419.7 °C at 760 mmHg |
Flash Point: | 136 °C |
PSA: | 55.76000 |
LogP: | 4.23960 |
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The Tetradecanoic acid,2-(2-hydroxyethoxy)ethyl ester, with the CAS registry number 52849-47-5, is also known as Diethylene glycol monomyristate and Myristic acid 3-oxa-5-hydroxypentane-1-yl ester. Its EINECS registry number is 258-223-6. This chemical's molecular formula is C18H36O4 and molecular weight is 316.476. What's more, both its IUPAC name and systematic name are the same which is called 2-(2-Hydroxyethoxy)ethyl tetradecanoate.
Physical properties about Tetradecanoic acid,2-(2-hydroxyethoxy)ethyl ester are: (1)ACD/LogP: 5.58; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.58; (5)ACD/BCF (pH 5.5): 10216.34; (6)ACD/BCF (pH 7.4): 10216.34; (7)ACD/KOC (pH 5.5): 25789.49; (8)ACD/KOC (pH 7.4): 25789.49; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 90.49 cm3; (15)Molar Volume: 333 cm3; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 0.95 g/cm3; (18)Flash Point: 136 °C; (19)Enthalpy of Vaporization: 77.79 kJ/mol; (20)Boiling Point: 419.7 °C at 760 mmHg; (21)Vapour Pressure: 8.41E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCOCCO)CCCCCCCCCCCCC
(2) InChI: InChI=1/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(20)22-17-16-21-15-14-19/h19H,2-17H2,1H3
(3) InChIKey: LZSVYIQKUAVZFB-UHFFFAOYAA