Phenol, 2,6-dinonyl- supplier

Name
2,6-dinonylphenol
EINECS 259-340-5
CAS No. 54773-22-7
Density 0.901 g/cm³
Solubility
Melting Point
Formula C₂₄H₄₂O
Boiling Point 448.4 °C at 760 mmHg
Molecular Weight 346.58968
Flash Point 211.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dinonylphenol;
PSA 20.23000
LogP 7.97840

Phenol, 2,6-dinonyl- Specification

The Phenol, 2,6-dinonyl-, with the CAS registry number 54773-22-7, is also known as 2,6-Dinonylphenol. Its EINECS registry number is 259-340-5. This chemical's molecular formula is C₂₄H₄₂O and molecular weight is 346.58968. Its IUPAC name is called 2,6-di(nonyl)phenol.

Physical properties of Phenol, 2,6-dinonyl-: (1)ACD/LogP: 10.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.9; (4)ACD/LogD (pH 7.4): 10.9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 112.09 cm³; (14)Molar Volume: 384.5 cm³; (15)Surface Tension: 34.5 dyne/cm; (16)Density: 0.901 g/cm³; (17)Flash Point: 211.5 °C; (18)Enthalpy of Vaporization: 73.41 kJ/mol; (19)Boiling Point: 448.4 °C at 760 mmHg; (20)Vapour Pressure: 1.17E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)O
(2)InChI: InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24(22)25)19-16-14-12-10-8-6-4-2/h17,20-21,25H,3-16,18-19H2,1-2H3
(3)InChIKey: CVIAERHUEXHJNW-UHFFFAOYSA-N

Product Name

2,6-dinonylphenol

Phenol, 2,6-dinonyl- Specification

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