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CAS No.: | 1323-65-5 |
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Name: | DINONYL PHENOL |
Molecular Structure: | |
Formula: | C24H42O |
Molecular Weight: | 346.59 |
Synonyms: | Dinonylphenol;2,3-dinonylphenol; |
EINECS: | 215-356-4 |
Density: | 0.901g/cm3 |
Boiling Point: | 453.2°C at 760 mmHg |
Flash Point: | 213.8°C |
Appearance: | COLOURLESS VISCOUS LIQUID. |
PSA: | 20.23000 |
LogP: | 7.97840 |
The Phenol, dinonyl-, with the CAS registry number 1323-65-5, is also known as Dinonylphenol. Its EINECS number is 215-356-4. This chemical's molecular formula is C24H42O and molecular weight is 346.59. What's more, its systematic name is 2,3-dinonylphenol. Its classification codes are: Skin / Eye Irritant.
Physical properties of Phenol, dinonyl- are: (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)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 112.09 cm3; (15)Molar Volume: 384.5 cm3; (16)Polarizability: 44.43×10-24 cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.901 g/cm3; (19)Flash Point: 213.8 °C; (20)Enthalpy of Vaporization: 74 kJ/mol; (21)Boiling Point: 453.2 °C at 760 mmHg; (22)Vapour Pressure: 7.84E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc1cccc(c1CCCCCCCCC)CCCCCCCCC
(2)InChI: InChI=1/C24H42O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25H,3-16,18,20H2,1-2H3
(3)InChIKey: JKTAIYGNOFSMCE-UHFFFAOYAX
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | oral | 1gm/kg (1000mg/kg) | National Technical Information Service. Vol. OTS0573097, | |
rabbit | LDLo | skin | 1mL/kg (1mL/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | National Technical Information Service. Vol. OTS0573097, |