1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

HCID 93221
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
40601-76-1
Standard SMILES
Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O
InChIKey
XYXJKPCGSGVSBO-UHFFFAOYSA-N
Molecular formula
C42H57N3O6
Average molar mass
699.9 g/mol
Monoisotopic mass
699.42473654

Names & identifiers

Preferred name
1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
IUPAC
1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
English name
Antioxidant 1790
Molecular formula
C42H57N3O6
Molecular weight
699.92

Names & synonyms

Cyanox 1790Cynomix 1790ADK-ARKLS DH 48253H13NWCQ1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Tris((4-tert-butyl-3-hydroxy-2,6-xylyl)methyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl)-1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione1,3,5-tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid
Show more names
TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL) ISOCYANURATEirganox 1790TH-1790Thanox 1790Lowinox 17901,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trioneAO-1790Irganox 3790Irganox-3790Eusorb UV-329
1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6-(1H,3H,5H)TRIONE1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione254-996-9RefChem:4124821,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-40601-76-1Cyanox CY 1790

Database identifiers

CAS
40601-76-1
PubChem CID
93221
DTXSID
DTXSID8028008
ChEMBL
CHEMBL3184256
UNII
253H13NWCQ
EC Number
254-996-9
Nikkaji
J38.951J

Properties

Computed structural properties

XLogP
10
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
51

Experimental & physicochemical properties

Polymers · 2 items

Plastics -> PUR

Plastics -> Antioxidants

FragrancesFragrance Ingredient (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-) -> IFRA transparency List
Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder; Large Crystals; Dry Powder

Physicochemical properties

Melting point
163 · 163-165 °C(lit.)
Boiling point
793.8 · 793.8±60.0 °C(Predicted)
Density
1.172 · 1.172±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 20℃
storage temp.
Sealed in dry,Room Temperature
solubility
Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 22.4% (108 of 482) of reports.

H413 (69.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 482 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13735

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAquatic Chronic 4 (69.3%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
tsca
TSCA listed
hs_code
29336990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 550,000 - <1,000,000 lb
Consumer UsesUV stabilizer
Industry UsesAntioxidant
Use Classification · 3 items

Fragrance Ingredients

Plastics -> Antioxidants

Plastics -> Polymer Type -> PUR

General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-: ACTIVE

Applications · 2 items

DescriptionAntioxidant 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 .

UsesTris(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 temperature or below. Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate is also used as a stabilizer in polyethelene and poloypropylene.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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