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Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate

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Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate

EINECS 264-513-3
CAS No. 63843-89-0 Density 1.04 g/cm3
PSA 79.31000 LogP 8.97130
Solubility 1mg/L at 20℃ Melting Point 147-149 °C(Solv: methanol (67-56-1); tetrahydrofuran (109-99-9))
Formula C42H72N2O5 Boiling Point 644.2 °C at 760 mmHg
Molecular Weight 685.044 Flash Point 343.4 °C
Transport Information N/A Appearance White to slightly yellow powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 63843-89-0 (Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate) Hazard Symbols N/A
Synonyms

Propanedioicacid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butyl-,bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester (9CI);Bis(1,2,2,6,6-pentamethyl-4-piperidinyl)(3,5-di-tert-butyl-4-hydroxybenzyl)butylpropanedioate;Bis(1,2,2,6,6-pentamethyl-4-piperidinyl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;Bis(1,2,2,6,6-pentamethyl-4-piperidyl)2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-butyl malonate;Bis(1,2,2,6,6-pentamethyl-4-piperidyl)2-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-n-butylmalonate;Bis(1,2,2,6,6-pentamethyl-4-piperidyl)[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate;Bis(1,2,2,6,6-pentamethyl-4-piperidyl)butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate;Bis(1,2,2,6,6-pentamethyl-4-piperidyl) a-(3,5-di-tert-butyl-4-hydroxybenzyl)-a-butylmalonate;Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)(3,5-di-tert-butyl-4-hydroxybenzyl)butylmalonate;Sanol LS 144;TN 144;Tinuvin114;Tinuvin 144;

Article Data 21

Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate Consensus Reports

Reported in EPA TSCA Inventory.

Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate Specification

The IUPAC name of Propanedioic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-methyl)butyl-, bis(1,2,2,6,6- pentamethyl-4-piperidinyl) ester is bis(1,2,2,6,6-pentamethylpiperidin-4-yl)2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate. With the CAS registry number 63843-89-0 it is also named as Tinuvin 144. The classification codes are Reproductive Effect; Skin / Eye Irritant and the other registry numbers are 116797-83-2 and 71714-47-1. Propanedioic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-methyl)butyl-, bis(1,2,2,6,6- pentamethyl-4-piperidinyl) ester is white to slightly yellow powder which is particularly recommended for using in automotive coatings, coil coatings, powder coatings. And it ialso used as UV absorption. When heated to decomposition it emits toxic fumes of NOx.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 10.91; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.81; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 9140.28; (6)ACD/BCF (pH 7.4): 14227.47; (7)ACD/KOC (pH 5.5): 1628.39; (8)ACD/KOC (pH 7.4): 2534.7; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14 2; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 202.36 cm3; (14)Molar Volume: 654.1 cm3; (15)Polarizability: 80.22×10-24 cm3; (16)Surface Tension: 42.7 dyne/cm; (17)Enthalpy of Vaporization: 98.51 kJ/mol; (18)Vapour Pressure: 3.41E-17 mmHg at 25°C; (19)Rotatable Bond Count: 13; (20)Tautomer Count: 2; (21)Exact Mass: 684.544123; (22)MonoIsotopic Mass: 684.544123; (23)Topological Polar Surface Area: 79.3; (24)Heavy Atom Count: 49.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC1CC(N(C)C(C)(C)C1)(C)C)C(C(=O)OC2CC(N(C)C(C)(C)C2)(C)C)(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CCCC
2. InChI:InChI=1/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1500mg/kg (1500mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0186-0585S,

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