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1709-70-2

1709-70-2 Structure

1709-70-2 Structure
IdentificationMore
[Name]

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
[CAS]

1709-70-2
[Synonyms]

1,3,5-TRIMETHYL-2,4,6-TRIS(3',5'-DI-T-BUTYL-4'-HYDROXYBENZYL)BENZENE
1,3,5-TRIMETHYL-2,4,6-TRIS(3,5-DI-T-BUTYL-4-HYDROXYBENZYL)BENZENE
1,3,5-TRIMETHYL-2,4,6-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)BENZENE
2,4,6-TRIS(3',5'-DI-TERT-BUTYL-4'-HYDROXYBENZYL)MESITYLENE
antioxidant 330
Evernox 1330
IRGANOX 1330
1,3,5-trimethyl-2,4,6-tris(3,5-di-t-butyl-4-hydroxybenzyl)-benzen
1,3,5-trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hy
1-dimethylethyl)-bis(
4,4’,4’’-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-Phenol
4,4’,4’’-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-pheno
ahydol
ao-40
ethanox330
ionox330
santoquinemulsion
santoquinmixture6
1,3,5-trimethyl-2,4,6-tri(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
2,2,2,6,6,6-hexa-tert-butyl-alpha,alpha,alpha-(mesitylene-2,4,6-triyl)tri-p-cresol
[EINECS(EC#)]

216-971-0
[Molecular Formula]

C54H78O3
[MDL Number]

MFCD02099205
[Molecular Weight]

775.2
[MOL File]

1709-70-2.mol
Chemical PropertiesBack Directory
[Appearance]

Free-flowing, white, crystalline powder; no odor. Partially soluble in benzene and methylene chloride; insoluble in water. Permissible in contact with food products. Combustible.
[Melting point ]

248-250 °C(lit.)
[Boiling point ]

739.54°C (rough estimate)
[density ]

0.8883 (rough estimate)
[refractive index ]

1.5800 (estimate)
[Fp ]

321℃
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Very Slightly, Heated, Sonicated)
[form ]

neat
[pka]

11.91±0.40(Predicted)
[color ]

White to Off-White
[Water Solubility ]

8.09μg/L at 20℃
[Cosmetics Ingredients Functions]

ANTIOXIDANT
[InChIKey]

VSAWBBYYMBQKIK-UHFFFAOYSA-N
[SMILES]

Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C
[LogP]

17.17
[Uses]

Antioxidant for polypropylene, high-density polyethylene, spandex fibers, polyamides, and specialty rubbers.
[CAS DataBase Reference]

1709-70-2(CAS DataBase Reference)
[EPA Substance Registry System]

1709-70-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P301+P312+P330-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[RTECS ]

DC3750000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2907299000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

LD50 oral in rat: 1500mg/kg
Questions And AnswerBack Directory
[Characterization]

Antioxidant 1330 – a sterically hindered phenolic antioxidant – is as highly effective stabilizer for organic substrates such as polymers, synthetic fibers, elastomers, adhesives, waxes, oils and fats. It protects these substrates against thermo-oxidative degradation.
[Physical Properties]

Physical Properties of Antioxidant 1330
[Applications]

Antioxidant 1330 is used in polyolefins e.g. polyethylene, polypropylene, polybutene for the stabilization of pipes, molded articles, wires and cables, dielectric films, etc.. Furthermore, it is applied in other polymers such as engineering plastics like linear polyesters, polyamides, and styrene homoand copolymers. It may also be used in PVC, polyurethanes, elastomers, adhesives, and other organic substrates.
[Features/benefits]

Antioxidant 1330 has good compatibility with most substrates, high resistance to extraction and is odorless. It offers also excellent dielectrical properties. The product can be used in combination with other additives such as costabilizers (e.g. thioethers, phosphites, phosphonites), light stabilizers and other functional stabilizers. The effectiveness of the blends of Irganox 1330 with Irgafos 168 (Irganox B-blends) is particularly noteworthy. Irganox 1330 is particularly recommended for polyolefin applications requiring good water extraction resistance combined with low color development. Furthermore, Irganox 1330 reduces water carry-over in polypropylene tape extrusion.
[Product forms]

Antioxidant 1330       white, free-flowing powder
Antioxidant 1330 FF    white, free-flowing granules
[Guidelines for use]

In polyolefins, the concentration levels for Antioxidant 1330 range typically between 0.05 % and 0.3 % depending on substrate, processing conditions and long-term thermal stability requirements. The optimum level is application specific. Concentration levels of Antioxidant 1330 in hot melt adhesives range from 0.2 % to 1 %, in synthetic tackifier resins, Irganox 1330 concentration ranges between 0.1 % and 0.5 %. Extensive performance data of Irganox 1330 in various organic polymers and applications are available upon request.
[Health & Safety]

Antioxidant 1330 exhibits a very low order of oral toxicity and does not present any abnormal problems in its handling or general use. Detailed information on handling and any precautions to be observed in the use of the product(s) described in this leaflet can be found in our relevant health and safety information sheet.
[Uses]

1,3,5-trimethyl-2,4,6-tris(3,5-di-t-butyl-4-hydroxybenzyl)benzene, commercially known as Irganox 1330 and Ethanox 330, is a sterically hindered phenolic antioxidant that protects organic substrates against thermo-oxidative degradation.
Irganox 1330 / Ethanox 330 is used in polyolefins (e.g., polyethylene, polypropylene, polybutene) for the stabilization of pipes, molded articles, wires and cables, dielectric films and in other polymers such as engineering plastics like linear polyesters, polyamides, and styrene homo- and copolymers. It may also be used in PVC, polyurethanes, elastomers, adhesives, and other organic substrates.
This product has been regulated by the FDA for use in all polymers at a maximum level of 0.5% except for nylon resins where the maximum use level is 1%. The resultant polymers would conceivably contact all food types with no temperature restrictions.
Hazard InformationBack Directory
[Chemical Properties]

Free-flowing, white, crystalline powder; no odor. Partially soluble in benzene and methylene chloride; insoluble in water. Permissible in contact with food products. Combustible.
[General Description]

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene(HEMA) is an antioxidant that can be used to prevent the oxidative degradation of plastics.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

2,6-di-tert-butyl-4-(methoxymethyl)phenol

87-97-8

Mesitylene

108-67-8

Antioxidant 1330

1709-70-2

(1) Add Catalyst B to 1,3,5-trimethylbenzene with uniform stirring to prepare mixture a; (2) Dissolve 3,5-di-tert-butyl-4-hydroxybenzyl methyl ether in dichloromethane with stirring to prepare mixture b; (3) Slowly add mixture b dropwise to mixture a under stirring conditions and react at 10 °C for 2 h. Subsequently, cool to room temperature to obtain mixture c; (4) The mixture c was filtered, the catalyst B was recovered and the filtrate d was collected; (5) The filtrate d was concentrated to dryness to obtain the crude product. The crude product was purified by n-heptane recrystallization: n-heptane was added to the crude product, heated to 85 °C and maintained for 2 hours, subsequently cooled to room temperature for crystallization, filtered to collect the crystals, and dried under vacuum to obtain antioxidant 330 (Compound II).

[References]

[1] Patent: CN108503512, 2018, A. Location in patent: Page/Page column 12-18
[2] Patent: CN108623438, 2018, A. Location in patent: Paragraph 0022-0024
Spectrum DetailBack Directory
[Spectrum Detail]

Antioxidant 1330(1709-70-2)MS
Antioxidant 1330(1709-70-2)1HNMR
Antioxidant 1330(1709-70-2)13CNMR
Antioxidant 1330(1709-70-2)IR1
Antioxidant 1330(1709-70-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1709-70-2(sigmaaldrich)
[TCI AMERICA]

2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene,>95.0%(GC)(1709-70-2)
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