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| CAS No.: | 9035-85-2 |
|---|---|
| Name: | PPG-10 CETYL ETHER |
| Molecular Structure: | |
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| Formula: | C19H40O2 |
| Molecular Weight: | 300.5197 |
| Synonyms: | Glycols,polypropylene, monohexadecyl ether (8CI);Emulphogene P 30;Hetoxol C 30P;PPGcetyl ether;Poly(propylene oxide) monohexadecyl ether;Polyoxypropylene cetylether;Polyoxypropylene monocetyl ether;Polypropylene glycol hexadecyl ether;Polypropylene glycol monocetyl ether;Polypropylene glycol monohexadecyl ether;Procetyl;Procetyl 10;Procetyl 20;Procetyl 30;Procetyl 50;Wickenol 707; |
| Density: | 0.868g/cm3 |
| Boiling Point: | 409.8 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| PSA: | 29.46000 |
| LogP: | 5.86670 |
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- Total:21 Page 1 of 1 1
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Specification
The Poly[oxy(methyl-1,2-ethanediyl)],a-hexadecyl-w-hydroxy-, with CAS registry number 9035-85-2, has the systematic name of 3-(hexadecyloxy)propan-1-ol. And its IUPAC name is the same one. Besides this, its classification code is TSCA Flag XU [Exempt from reporting under the Inventory Update Rule].
Physical properties of Poly[oxy(methyl-1,2-ethanediyl)],a-hexadecyl-w-hydroxy-: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.6; (4)ACD/LogD (pH 7.4): 7.6; (5)ACD/BCF (pH 5.5): 351371.75; (6)ACD/BCF (pH 7.4): 351371.75; (7)ACD/KOC (pH 5.5): 324513.91; (8)ACD/KOC (pH 7.4): 324513.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 93.35 cm3; (15)Molar Volume: 346 cm3; (16)Polarizability: 37×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Enthalpy of Vaporization: 76.49 kJ/mol; (19)Vapour Pressure: 2E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCOCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h20H,2-19H2,1H3
(3)InChIKey: YDCSFYSJEYSCBP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h20H,2-19H2,1H3
(5)Std. InChIKey: YDCSFYSJEYSCBP-UHFFFAOYSA-N