ChemicalBook--->CAS DataBase List--->40601-76-1

40601-76-1

40601-76-1 Structure

40601-76-1 Structure
IdentificationMore
[Name]

Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
[CAS]

40601-76-1
[Synonyms]

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trione
irganox 1790
Thanox 1790
TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL) ISOCYANURATE
1,3,5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydr
1,3,5-Tris(4-t-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]1
6-dimethylphenyl]methyl]-oxy-
tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)
Antioxidant 1790
1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tris(4-tert-butyl-3-Hydroxy-2,6-Dimethyl Benzyl)-1,3,5-Triazine-2,4,6-(1H
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-
1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-1,3,.
1,3,5-TRlS(4-tert-butyl-3-hydroxy-2,6-dimethyl benzyl)–1,3,5-triazine-2,4,6-(1H,3H,5H)-trione
1,3,5-Tris-(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-isocyanurate
Irganox 3790(Ciba SC)Cyanox 1790(Cytec)
Yellow inhibitor HN130
1,3,5-Tris(3-hydroxy-4-tert-butyl-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-trione
[EINECS(EC#)]

254-996-9
[Molecular Formula]

C42H57N3O6
[MDL Number]

MFCD00192555
[Molecular Weight]

699.92
[MOL File]

40601-76-1.mol
Chemical PropertiesBack Directory
[Melting point ]

163-165 °C(lit.)
[Boiling point ]

793.8±60.0 °C(Predicted)
[density ]

1.172±0.06 g/cm3(Predicted)
[vapor pressure ]

0Pa at 20℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

11.36±0.28(Predicted)
[color ]

White to Off-White
[Water Solubility ]

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

ANTIOXIDANT
[InChIKey]

XYXJKPCGSGVSBO-UHFFFAOYSA-N
[SMILES]

N1(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C(=O)N(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C(=O)N(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C1=O
[LogP]

15.281 at 20℃
[CAS DataBase Reference]

40601-76-1(CAS DataBase Reference)
[EPA Substance Registry System]

40601-76-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-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 ]

2
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29336990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Antioxidant 1790, the appearance is white to off-white powder , Purity ≥95% . Antioxidant 1790 is a kind of hindered phenol primary antioxidant, It can be used in polypropylene, polyamide, ABS resin,polystyrene,elastic fiber, PE PP food package as USA FDA regulation .
[Chemical Properties]

White powder
[Uses]

Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate as an antioxidant and/or stabilizer in polystyrene and rubber-modified polystyrene intended for use in contact with food at room temperatur e or below. Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate is also used as a stabilizer in polyethelene and poloypropylene.
[Application]

For nylon series, polyester, ABS, polyolefin pipe, agricultural film, household appliances, styrene plastic and polyester. 
[Flammability and Explosibility]

Nonflammable
[Safety]

FDA approved for use in food contact applications in 178.2010, 177.1640.
[Synthesis]

2-(T-BUTYL)-3-CHLOROMETHYL-4,6-DIMETHYLPHENOL

23500-79-0

Cyanuric acid trisodium salt

3047-33-4

Antioxidant 1790

40601-76-1

To a 500-mL four-necked flask equipped with a stirrer, reflux condenser and thermometer were added 19 g (0.1 mol) of trisodium salt of cyanuric acid, 71 g (0.33 mol) of 2-tert-butyl-3-chloromethyl-4,6-dimethylphenol, 200 mL of N,N-dimethylformamide, and 1 g of phase transfer catalyst. The reaction mixture was heated to 120°C and stirred for 14 hours under continuous nitrogen protection. Upon completion of the reaction, the mixture was cooled to 50-60°C and filtered. The filtrate was distilled at 0.005-0.15 MPa pressure to remove N,N-dimethylformamide. To the residue, 200 mL of toluene and 100 mL of water were added and stirred until all materials were completely dissolved, then left to partition and separate the aqueous phase. The organic phase was distilled to remove the remaining water and about 160 mL of toluene. 150 ml of methanol was added slowly, stirred and refluxed until the material was completely dissolved. 5 g of activated charcoal was added for decolorization, and after hot filtration, the product was cooled and crystallized, filtered, and washed to give 54.6 g of dry 1,3,5-tris(4-(tert-butyl)-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione with a melting point of 157-160 °C and a purity of 98.3%. The product was characterized by infrared spectroscopy.

[Advantages]

Low dosage and excellent performance: only with 0.02%~0.1% addition can effectively prevent goods from heat and oxidization degradation during the usage and high temperature processing;Great synergy with some secondary antioxidants such as phosphite ester and thiodipropionate type.Geat boiling water resistance ability;Good resistance to extraction of the detergent cleaning.
[References]

[1] Patent: CN103420932, 2016, B. Location in patent: Paragraph 0024; 0025; 0026
[2] Patent: CN106699678, 2017, A. Location in patent: Paragraph 0052; 0053
Spectrum DetailBack Directory
[Spectrum Detail]

Antioxidant 1790(40601-76-1)1HNMR
Antioxidant 1790(40601-76-1)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

40601-76-1(sigmaaldrich)
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