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2315-64-2

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Basic Information
CAS No.: 2315-64-2
Name: OCTOXYNOL-5
Molecular Structure:
Molecular Structure of 2315-64-2 (OCTOXYNOL-5)
Formula: C24H42O6
Molecular Weight: 426.594
Synonyms: 3,6,9,12-Tetraoxatetradecan-1-ol,14-[p-(1,1,3,3-tetramethylbutyl)phenoxy]- (6CI,7CI,8CI);Ethanol,2-[2-[2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Pentaethylene glycol p-tert-octylphenyl ether;SINOPOL 862;Ethoxylated octylphenol;14-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol;14-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol;
Density: 1.021 g/cm3
Boiling Point: 512.87 °C at 760 mmHg
Flash Point: 263.975 °C
PSA: 66.38000
LogP: 3.83790
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Specification

The 3,6,9,12-Tetraoxatetradecan-1-ol,14-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-, with the CAS registry number 2315-64-2, is also known as 14-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol. This chemical's molecular formula is C24H42O6 and molecular weight is 426.30. What's more, its systematic name is 14-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol.

Physical properties of 3,6,9,12-Tetraoxatetradecan-1-ol,14-[4-(1,1,3,3-tetramethylbutyl)phenoxy]- are: (1)ACD/LogP: 3.457; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.59; (6)ACD/BCF (pH 7.4): 249.59; (7)ACD/KOC (pH 5.5): 1809.41; (8)ACD/KOC (pH 7.4): 1809.41; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 66.38 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 120.027 cm3; (15)Molar Volume: 417.715 cm3; (16)Polarizability: 47.583×10-24cm3; (17)Surface Tension: 35.51 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 263.975 °C; (20)Enthalpy of Vaporization: 82.563 kJ/mol; (21)Boiling Point: 512.87 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCO
(2)Std. InChI: InChI=1S/C24H42O6/c1-23(2,3)20-24(4,5)21-6-8-22(9-7-21)30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25/h6-9,25H,10-20H2,1-5H3
(3)Std. InChIKey: WQBPSJIAFZCNBR-UHFFFAOYSA-N