Basic information
- Name:
Ethanol,2-(nonylphenoxy)-
- Superlist Name:
- Terics
- CAS No.:
27986-36-3
- Molecular Structure:
- Formula:
- C17H28O2
- Molecular Weight:
- 264.40
- Synonyms:
- (Nonylphenoxy)ethanol;Ethylene glycol nonylphenyl ether;Nonylphenol monoethoxylate;Nonylphenoxyglycol;SINOPOL 961H;2-(2-Nonylphenoxy)ethanol;
- EINECS:
- 248-762-5
- Density:
- 0.959 g/cm3
- Boiling Point:
- 376.537 °C at 760 mmHg
- Flash Point:
- 149.561 °C
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Specification
The Ethanol,2-(nonylphenoxy)-, with the CAS registry number 27986-36-3, is also known as Ethylene glycol nonylphenyl ether. Its EINECS number is 248-762-5. This chemical's molecular formula is C17H28O2 and molecular weight is 264.40. What's more, its systematic name is 2-(2-Nonylphenoxy)ethanol. Its classification codes are: (1)Detergents; (2)Surface-Active Agents. This chemical is a kind of medicated blocks used for control of cattle bloat.
Physical properties of Ethanol,2-(nonylphenoxy)- are: (1)ACD/LogP: 5.848; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.85; (4)ACD/LogD (pH 7.4): 5.85; (5)ACD/BCF (pH 5.5): 16387.59; (6)ACD/BCF (pH 7.4): 16387.59; (7)ACD/KOC (pH 5.5): 36169.06; (8)ACD/KOC (pH 7.4): 36169.06; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 81.078 cm3; (15)Molar Volume: 275.813 cm3; (16)Polarizability: 32.142×10-24cm3; (17)Surface Tension: 35.99 dyne/cm; (18)Density: 0.959 g/cm3; (19)Flash Point: 149.561 °C ; (20)Enthalpy of Vaporization: 65.846 kJ/mol; (21)Boiling Point: 376.537 °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(c1ccccc1CCCCCCCCC)CCO
(2)Std. InChI: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-15-14-18/h9-10,12-13,18H,2-8,11,14-15H2,1H3
(3)Std. InChIKey: IEORSVTYLWZQJQ-UHFFFAOYSA-N