Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

HCID 93115
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
27676-62-6
Standard SMILES
CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O
InChIKey
VNQNXQYZMPJLQX-UHFFFAOYSA-N
Molecular formula
C48H69N3O6
Average molar mass
784.1 g/mol
Monoisotopic mass
783.51863693

Names & identifiers

Preferred name
Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
IUPAC
1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
English name
Antioxidant3114
Molecular formula
C48H69N3O6
Molecular weight
784.08

Names & synonyms

27676-62-6Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanuratePlastic additive 6EINECS 248-597-9680V3MP8YT1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-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((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-EC 248-597-9PLASTIC ADDITIVE 6 [USP-RS]1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1h,3h,5h)-triones-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-
Show more names
IRGANOX 3114TTICAO-3114Thanox31141,3,5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-41,3,5-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione-hAN 3114
1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate1,3,5-TRI(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE1,3,5-TRIS(4-HYDROXY-3,5-DI-TERT-BUTYLBENZYL)CYANURIC ACIDPLASTIC ADDITIVE 6 (USP-RS)1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-S-TRIAZINETRIONE1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)(1,3,5)TRIAZIN-2,4,6-TRIONERefChem:9002191,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

Database identifiers

CAS
27676-62-6
PubChem CID
93115
DTXSID
DTXSID0027935
UNII
680V3MP8YT
EC Number
248-597-9
Nikkaji
J52.299F

Properties

Computed structural properties

XLogP
12.8
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
57

Experimental & physicochemical properties

Polymers · 3 items

Plastics -> Polyolefin-I; Polyolefin-II; ABS

Plastics -> Antioxidants

Plastics -> Other functions -> Other stabiliser

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder; Other Solid; CBI; Dry Powder; Large Crystals

Physicochemical properties

Melting point
218 · 218-220 °C(lit.)
Boiling point
757.9 · 757.9±60.0 °C(Predicted)
Density
1.03 g/cm3 · 1.03g/cm3
vapor pressure
0 Pa · 0Pa at 25℃
Flash point
289 °C · 289°C
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (282 of 282) of all reports.

Not Classified

Aggregated GHS information provided per 282 reports by companies from 1 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[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]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[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]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: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14358

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

wgk
-
tsca
TSCA listed
hs_code
2933690000
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

UsesPlastics -> Typical concentration range in plastic materials -> 0.4 - 0.8%
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesOther
Industry UsesNot Known or Reasonably Ascertainable
Use Classification · 3 items

Plastics -> Antioxidants

Plastics -> Other functions -> Other stabiliser

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; ABS

General Manufacturing Information · 2 items

Adhesive Manufacturing

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

Applications · 3 items

UsesTris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate is used an as antioxidant-stabilizer in polyolefin films intended for packaging nonfatty food as well as an antioxidant in propylene copolymers.

UsesTris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate(Antioxidant3114) is used an as antioxidant-stabilizer in polyolefin films intended for packaging nonfatty food as well as an antioxidant in propylene copolymers.

General DescriptionAntioxidant 3114, chemically known as Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate, serves as an effective antioxidant and UV stabilizer. It is extensively utilized in various materials including polyethylene, polypropylene, polystyrene, ABS resin, polyester, nylon, polyurethane, rubber, adhesives, petroleum resins, coatings, and oils. Additionally, it functions as a free radical scavenger to enhance the stability of polyolefins.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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