CAS No.110675-26-8,2,4-Bis(dodecylthiomethyl)-6-methylphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	110675-26-8
Name:	2,4-Bis(dodecylthiomethyl)-6-methylphenol

Formula:	C₃₃H₆₀OS₂
Molecular Weight:	536.96
Synonyms:	2,4-Bis(dodecylthiomethyl)-6-methylphenol;Irganox 1726;
EINECS:	1533716-785-6
Density:	0.957 g/cm³
Melting Point:	30 °C
Boiling Point:	620.8 °C at 760 mmHg
Flash Point:	300.5 °C
Solubility:	100μg/L at 20℃
PSA:	70.83000
LogP:	12.00880

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Specification

The IUPAC name of this chemical is 2,4-bis(dodecylsulfanylmethyl)-6-methylphenol. With the CAS registry number 110675-26-8, it is also named as Phenol, 2,4-bis((dodecylthio)methyl)-6-methyl-. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and the other registry number is 915978-08-4. Additionally, it is antioxygen.

The other characteristics of 2,4-Bis(dodecylthiomethyl)-6-methylphenol can be summarized as: (1)ACD/LogP: 14.32; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.32; (4)ACD/LogD (pH 7.4): 14.32; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 27; (8)Molar Refractivity: 169.97 cm³; (9)Molar Volume: 560.8 cm³; (10)Polarizability: 67.38×10^-24 cm³; (11)Surface Tension: 37.6 dyne/cm; (12)Enthalpy of Vaporization: 95.37 kJ/mol; (13)Vapour Pressure: 5.24E-16 mmHg at 25°C; (14)Rotatable Bond Count: 26; (15)Tautomer Count: 3; (16)Exact Mass: 536.408558; (17)MonoIsotopic Mass: 536.408558; (18)Topological Polar Surface Area: 70.8; (19)Heavy Atom Count: 36; (20)Complexity: 443.

People can use the following data to convert to the molecule structure.
1. SMILES:S(Cc1cc(cc(c1O)C)CSCCCCCCCCCCCC)CCCCCCCCCCCC
2. InChI:InChI=1/C33H60OS2/c1-4-6-8-10-12-14-16-18-20-22-24-35-28-31-26-30(3)33(34)32(27-31)29-36-25-23-21-19-17-15-13-11-9-7-5-2/h26-27,34H,4-25,28-29H2,1-3H3