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Hexadecanoic acid,2-(2-hydroxyethoxy)ethyl ester

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Name

Hexadecanoic acid,2-(2-hydroxyethoxy)ethyl ester

EINECS 253-006-2
CAS No. 36381-62-1 Density 0.941 g/cm3
Solubility Melting Point
Formula C20H40O4 Boiling Point 446.8 °C at 760 mmHg
Molecular Weight 344.5292 Flash Point 141.9 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 36381-62-1 (Hexadecanoic acid,2-(2-hydroxyethoxy)ethyl ester) Hazard Symbols
Synonyms

Palmiticacid, ester with diethylene glycol (7CI);Diethylene glycol monopalmitate;Emcol DP 50;NSC 406560;Palmitic acid 2-(2-hydroxyethoxy)ethyl ester;

 

Hexadecanoic acid,2-(2-hydroxyethoxy)ethyl ester Specification

The Hexadecanoic acid,2-(2-hydroxyethoxy)ethyl ester, with the CAS registry number 36381-62-1, is also known as Palmitic acid 2-(2-hydroxyethoxy)ethyl ester. Its EINECS registry number is 253-006-2. This chemical's molecular formula is C20H40O4 and molecular weight is 344.5292. What's more, both its IUPAC name and systematic name are the same which is called 2-(2-Hydroxyethoxy)ethyl hexadecanoate.

Physical properties about Hexadecanoic acid,2-(2-hydroxyethoxy)ethyl ester are: (1)ACD/LogP: 6.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.64; (4)ACD/LogD (pH 7.4): 6.64; (5)ACD/BCF (pH 5.5): 65606.52; (6)ACD/BCF (pH 7.4): 65606.52; (7)ACD/KOC (pH 5.5): 97622.87; (8)ACD/KOC (pH 7.4): 97622.87; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 99.76 cm3; (15)Molar Volume: 366 cm3; (16)Polarizability: 39.54×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 141.9 °C; (20)Enthalpy of Vaporization: 81.36 kJ/mol; (21)Boiling Point: 446.8 °C at 760 mmHg; (22)Vapour Pressure: 7.31E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCO)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)24-19-18-23-17-16-21/h21H,2-19H2,1H3
(3)InChIKey: RGODSEMCBFJLCL-UHFFFAOYAG

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