CAS No.1323-65-5,DINONYL PHENOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1323-65-5
Name:	DINONYL PHENOL

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

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Specification

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,