Basic information
- Name:
3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol,29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
- Superlist Name:
- Octoxynol-10
- CAS No.:
2315-66-4
- Molecular Structure:
![Molecular Structure of 2315-66-4 (3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol,29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-)](http://www.lookchem.com/300w/2010/077/2315-66-4.jpg)
- Formula:
- C34H62O11
- Molecular Weight:
- 646.43
- Synonyms:
- 3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol,29-[p-(1,1,3,3-tetramethylbutyl)phenoxy]- (7CI,8CI);Decaethylene glycol 4-octylphenyl ether;p-tert-Octylphenol decaglycol ether;SINOPOL 865;29-[4-(6-Methylheptyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol;
- Density:
- 1.053 g/cm3
- Boiling Point:
- 676.948 °C at 760 mmHg
- Flash Point:
- 363.205 °C
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Specification
The 3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol,29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-, with the CAS registry number 2315-66-4, is also known as Decaethylene glycol 4-octylphenyl ether. This chemical's molecular formula is C34H62O11 and molecular weight is 646.43. What's more, its systematic name is 29-[4-(6-Methylheptyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol.
Physical properties of 3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol,29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.44; (6)ACD/BCF (pH 7.4): 138.44; (7)ACD/KOC (pH 5.5): 1186.64; (8)ACD/KOC (pH 7.4): 1186.64; (9)#H bond acceptors: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 37; (12)Polar Surface Area: 112.53 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 175.503 cm3; (15)Molar Volume: 614.066 cm3; (16)Polarizability: 69.575×10-24cm3; (17)Surface Tension: 38.17 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 363.205 °C; (20)Enthalpy of Vaporization: 104.392 kJ/mol; (21)Boiling Point: 676.948 °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)CCCCCC(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
(2)Std. InChI: InChI=1S/C34H62O11/c1-32(2)6-4-3-5-7-33-8-10-34(11-9-33)45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-38-17-16-37-15-14-36-13-12-35/h8-11,32,35H,3-7,12-31H2,1-2H3
(3)Std. InChIKey: FTKHKYJEPWRVHX-UHFFFAOYSA-N