N,n'-hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]
fo-a31fcb14195c60c8
Identity
- Type
- Neutral molecule
- CAS
- 23128-74-7
- EC
- 245-442-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
31- 1,6-Bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamido)hexane
- 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]hexane
- 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionylamino]hexane
- 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propylamido]hexane
- 3,3′-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-N,N′-hexamethylenedipropionamide
- 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide
- Antage HP 300
- Benzenepropanamide, N,N′-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-
- GC Thanox 1098
- Heat stabilizer 1096
- Hydrocinnamamide, N,N′-hexamethylenebis[3,5-di-tert-butyl-4-hydroxy-
- Irganox 98
- Irganox B 1096
- Irganox GX 2921
- Lowinox HD 98
- N,N′-(Hexane-1,6-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]
- N,N′-1,6-Hexamethylenebis-3-(3,5-tert-butyl-4-hydroxyphenyl)propionamide
- N,N′-1,6-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide
- N,N′-1,6-Hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanamide
- N,N′-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl)hexanediamine
- N,N′-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl]hexamethylenediamine
- N,N′-Bis[3-(3,5-tert-butyl-4-hydroxyphenyl)propionyl]hexamethylenediamine
- N,N′-Bis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionyl]hexamethylenediamine
- N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxybenzenepropionamide)
- N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
- N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamide)
- N,N′-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
- N,N′-Hexane-1,6-diyl-bis(3-(3,5-di-tert-butyl-4-hydroxyphenylpropionamide))
- N,N′-Hexane-1,6-diylbis[3,5-ditert-butyl-4-hydroxyphenylpropionamide)]
- N,N′-Hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
- TTAD
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | OKOBUGCCXMIKDM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44) |
| IUPAC name chemrof:IUPAC_name | 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide |
| Molecular formula chemrof:molecular_formula | C40H64N2O4 |
| Molecular mass chemrof:molecular_mass | 636.962 |
| Monoisotopic mass chemrof:monoisotopic_mass | 636.486609, 636.48661 |
| SMILES string chemrof:smiles_string | 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 |
Known URLs
10Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=23128-74-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:193589 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.041.296 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.81250.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5044233 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/918T54D300 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J46.617D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/90004 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q21099615 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Irganox_1098 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f639b2cd-327c-47be-80ba-a2d1072b8424 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| ad734de8-60df-494e-8d7f-1a77ebfca52d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c5d4c7b5-b7c7-4b10-8464-c477ca61502c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8596c63d-9e34-43cc-bcf5-17ea4a99d552 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 175b87fd-5989-4c6c-b8a1-ca283a7f252e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ce0f37ea-c82b-45c3-878a-642bdda3a752 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f111ebec-d40d-487c-b91c-23c6d5beb570 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 3101e6c3-a086-47ad-8e9a-5e1640a74569 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 70553993-141b-4951-86c1-77bb0294dfb5 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b871ae1c-b003-4330-8352-a9d16a568807 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 935ad645-9eb3-4298-acaf-ea4f117defc8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4463671b-c176-4ea3-8e02-92ff97e33b0a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 070e7794-e761-4c9b-b860-f268dfe4f124 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works