CAS No.29598-76-3,2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate] Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29598-76-3
Name:	2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]
Article Data:	6

Formula:	C₆₅H₁₂₄O₈S₄
Molecular Weight:	1161.96
Synonyms:	Propanoicacid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediylester (9CI);Propionic acid, 3-(dodecylthio)-, neopentanetetrayl ester (8CI);ADK Stab AO 412S;AO 412S;AO-S 116;Pentaerythritoltetrakis(3-n-dodecylthiopropionate);Pentaerythritol tetrakis(dodecylthiopropionate);Pentaerythritol tetrakis(b-dodecylthiopropionate);Pentaerythritol tetrakis[3-(dodecylthio)propionate];Pentaerythritoltetrakis[3-laurylthiopropionate];Seenox 412S;Sumilizer TP-D;TP-D;Tetrakis[methylene-3-(dodecylthio)propionate]methane;
EINECS:	249-720-9
Density:	0.992 g/cm³
Melting Point:	>46.0℃
Boiling Point:	998.195 °C at 760 mmHg
Flash Point:	475.502 °C
Solubility:	Soluble in hexane, cyclohexane, almost insoluble in water
Appearance:	White solid powder
PSA:	206.40000
LogP:	20.32240

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Specification

The 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate], with the CAS registry number 29598-76-3, is also known as Pentaerythritoltetrakis(3-n-dodecylthiopropionate). It belongs to the product category of Industrial/Fine Chemicals. Its EINECS number is 249-720-9. This chemical's molecular formula is C₆₅H₁₂₄O₈S₄ and molecular weight is 1161.94. What's more, its systematic name is 3-{[3-(Dodecylsulfanyl)propanoyl]oxy}-2,2-bis({[3-(dodecylsulfanyl)propanoyl]oxy}methyl)propyl 3-(dodecylsulfanyl)propanoate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate] are: (1)ACD/LogP: 25.155 # of Rule of 5 Violations: 2; (2)ACD/LogD (pH 5.5): 25.16; (3)ACD/LogD (pH 7.4): 25.16; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 10000000.00; (7)ACD/KOC (pH 7.4): 10000000.00; (8)#H bond acceptors: 8; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 68; (11)Polar Surface Area: 206.4 Å²; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 342.239 cm³; (14)Molar Volume: 1171.327 cm³; (15)Polarizability: 135.674×10^-24cm³; (16)Surface Tension: 38.35 dyne/cm; (17)Density: 0.992 g/cm³; (18)Flash Point: 475.502 °C; (19)Enthalpy of Vaporization: 145.833 kJ/mol; (20)Boiling Point: 998.195 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC)CCSCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3
(3)Std. InChIKey: VSVVZZQIUJXYQA-UHFFFAOYSA-N