Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate
fo-51e5c3ee0586480f
Identity
- Type
- Neutral molecule
- CAS
- 40601-76-1
- EC
- 254-996-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
20- 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- 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-Tris(2,6-dimethyl-3-hydroxy-4-tert-butylbenzyl) isocyanurate
- 1,3,5-Tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate
- 1,3,5-Tris(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl) isocyanurate
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-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
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-s-triazine-2,4,6-(1H,3H,5H)-trione
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylphenylmethyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)trione
- 1,3,5-Tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]1,3,5-triazine-2,4,6-trione
- 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-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- ADK-ARKLS DH 48
- Antioxidant CY
- Cyanox CY 1790
- Tris(3-hydroxy-4-tert-butyl-2,6-dimethylbenzyl) isocyanurate
- Tris(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl) isocyanurate
- Tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazine-2,4,6-trione
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XYXJKPCGSGVSBO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3 |
| IUPAC name chemrof:IUPAC_name | 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione |
| Molecular formula chemrof:molecular_formula | C42H57N3O6 |
| Molecular mass chemrof:molecular_mass | 699.933 |
| Monoisotopic mass chemrof:monoisotopic_mass | 699.424737 |
| SMILES string chemrof:smiles_string | 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 |
Known URLs
9Where 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=40601-76-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.049.980 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8028008 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184256 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/253H13NWCQ | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.951J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/93221 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27253902 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1,3,5-Tris(4-(tert-butyl)-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 996e51ad-fdd3-491e-aae0-be1149d0aa42 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| d740337e-b20e-4670-b300-0352440c1aa4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f85eaaa1-ed06-4afe-972d-ddf28244fdb9 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3716e0ce-6a22-41bb-bc3a-1b8780515732 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 623bbaad-1f16-42a8-b477-c1a4a4df5a98 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| abf127dc-d2c4-420d-b2bd-373350723c39 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| a187d436-a1fa-4b26-907b-bf3214256122 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| db93b399-2810-4b46-9b1e-5578b23241cf | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 179fe44f-ec84-49b0-bda3-29dcd84a3814 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| e5fef6f7-39f3-4428-a9fd-fd595f8c24b3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f10f9c45-6741-46b1-8ea7-da17bbb4d016 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| bade4821-f99d-4963-aeca-68a46954b684 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 08fa341a-050d-46b5-a810-edf6180c108d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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