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Cas Database |
| Name |
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene |
EINECS | 216-971-0 |
| CAS No. | 1709-70-2 | Density | 1.004 g/cm3 |
| PSA | 60.69000 | LogP | 14.28600 |
| Solubility | Almost insoluble in water | Melting Point |
248-250 °C(lit.) |
| Formula | C54H78O3 | Boiling Point | 730 °C at 760 mmHg |
| Molecular Weight | 775.212 | Flash Point | 240 °C |
| Transport Information | N/A | Appearance | White crystalline powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxytolyl)benzene;1,3,5-Tris(3,5-di-tert-butyl-4-hydroxyphenylmethyl)-2,4,6-trimethylbenzene;2,4,6-Bis(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene;2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene;ADK Stab A 330;AO 330;Agidol 40;Alvinox 100;Antioxidant 330;Good-rite 1330;Ionox 330;Irganox 330;Mark AO 330;Seenox 326M; |
Article Data | 43 |
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene Consensus Reports
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene Specification
The IUPAC name of Ionox 330 is 4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol. With the CAS registry number 1709-70-2, it is also named as 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene. The product's categories are industrial / fine chemicals; organics; polymer additives; polymer science; stabilizers. It is white crystalline powder which is almost insoluble in water, soluble in solvents such as benzene, and slightly soluble in alcohol. Additionally, Ionox 330 is stable under temperature and pressure. And it should be avoided to contact with oxidant. Besides, this chemical should stored in the cool and dry place. When heated to decomposition it emits acrid smoke and irritating fumes.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 17.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17.49; (4)ACD/LogD (pH 7.4): 17.49; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 15; (8)Index of Refraction: 1.546; (9)Molar Refractivity: 244.63 cm3; (10)Molar Volume: 771.8 cm3; (11)Polarizability: 96.98×10-24 cm3; (12)Surface Tension: 35.6 dyne/cm; (13)Enthalpy of Vaporization: 110.34 kJ/mol; (14)Vapour Pressure: 5.02E-22 mmHg at 25°C; (15)Rotatable Bond Count: 12; (16)Tautomer Count: 4; (17)Exact Mass: 774.595096; (18)MonoIsotopic Mass: 774.595096; (19)Topological Polar Surface Area: 60.7; (20)Heavy Atom Count: 57; (21)Complexity: 1030.
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 must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:Oc1c(cc(cc1C(C)(C)C)Cc2c(c(c(c(c2C)Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C)Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C)C(C)(C)C
2. InChI:InChI=1/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3
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) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. |
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