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