Basic information
- CAS
23128-74-7- Standard SMILES
CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
OKOBUGCCXMIKDM-UHFFFAOYSA-N- Molecular formula
- C40H64N2O4
- Average molar mass
- 636.9 g/mol
- Monoisotopic mass
- 636.48660853
Overview
Irganox 1098 is an alkylbenzene.
Names & identifiers
- Preferred name
- N,N'-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
- IUPAC
- 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide
- English name
- Antioxidant 1098
- Molecular formula
- C40H64N2O4
- Molecular weight
- 636.95
Names & synonyms
23128-74-7Antioxidant 1098DTXSID5044233Benzenepropanamide, N,N'-1,6-hexanediylbis(3,5-bis(1,1-dimethylethyl)-4-hydroxy-EINECS 245-442-7n,n'-hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)N,N'-Hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenylpropionamide]918T54D300DTXCID3024233EC 245-442-7Benzenepropanamide, N,N'-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-N,N'-Hexane-1,6-diylbis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide)
Show more names
Thanox1098ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonic acid.CaN,N′-Hexan-1,6-diylbis[3-(3,5-di-tert.-butyl-4-hydroxyphenyl)-propionamid]Ao-1098Iraganox 10981,6-HEXAMETHYLENEBIS(3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONAMIDE)N,N-hexamethylene bis (3-(3,5-di-t-butyl-4-hydroxyphenyl) propionamide)N,N’-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-Benzenepropanamide
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 811
Experimental & physicochemical properties
PolymersPlastics -> PUR; PA
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionCBI; Large Crystals; Other Solid; Large Crystals; Dry Powder
Collision Cross Section263.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5044233]
Physicochemical properties
- Melting point
- 156 · 156-161°C
- Boiling point
- 740.1 · 740.1±60.0 °C(Predicted)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 78.3% (285 of 364) of all reports.
H412 (21.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 364 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenepropanamide, N,N'-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-
Benzenepropanamide, N,N'-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanamide, N,N'-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy- 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)
REACH registered substance: N,N'-hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenylpropionamide] (EC: 245-442-7)
Benzenepropanamide, N,N'-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (21.2%)
Safety data
- wgk
- WGK 1
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 0.5%
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesAntioxidant
Industry UsesOther
Use ClassificationPlastics -> Polymer Type -> PUR; PA
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
Benzenepropanamide, N,N'-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-: ACTIVE
Applications
DescriptionAntioxidant 1098 is in the form of white-like white powder, with good compatibility with the material, low volatility, and little effect on the color of the material before and after aging.
UsesAntioxidant 1098 (cas# 23128-74-7) is used as a modifier in polymer stabilization.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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