4,4'-methylenebis(2,6-di-tert-butylphenol)
fo-a0e0fc349f95e48d
Identity
- Type
- Neutral molecule
- CAS
- 118-82-1
- EC
- 204-279-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
19- 2,6-Di-tert-butyl-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phenol
- 2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
- 3,3′,5,5′-Tetra-tert-butyl-4,4′-dihydroxydiphenylmethane
- 4,4′-Methylene-bis-2,6-tert-butylphenol
- 4,4′-Methylenebis[2,6-bis(1,1-dimethylethyl)phenol
- 4,4′-Methylenebis[2,6-di-tert-butylphenol]
- Agidol 23
- Antioxidant E 702
- Antioxidant T 511
- Binox M
- Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane
- Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane
- Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane
- H 301/92
- Ionox 220 Antioxidant
- LZ-MB 1
- Phenol, 4,4′-methylenebis[2,6-bis(1,1-dimethylethyl)-
- Phenol, 4,4′-methylenebis[2,6-di-tert-butyl-
- Vanlube DTB
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MDWVSAYEQPLWMX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3 |
| IUPAC name chemrof:IUPAC_name | 4,4'-methylenebis(2,6-di-tert-butylphenol) |
| Molecular formula chemrof:molecular_formula | C29H44O2 |
| Molecular mass chemrof:molecular_mass | 424.669 |
| Monoisotopic mass chemrof:monoisotopic_mass | 424.33413, 424.334131 |
| SMILES string chemrof:smiles_string | CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O |
Known URLs
12Where 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=118-82-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34369 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.891 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7022411 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30551 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1795577 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/37N5K66648 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.600A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14287 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14287 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8372 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27116023 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bd4d84b3-263a-4122-9de5-cb5ebe5f50ee | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| de8c87da-3e9b-4ec8-9e20-6d49ce1f53bb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5ddd5a1f-d644-4f6b-8c2c-b78f0d2f96d2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| e5af4293-52b7-4bd3-9018-490e40e31d85 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f0f2a4ec-887e-4372-9857-6eeb8fd13286 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 97edbfa1-3d1e-4c87-b96b-8bcfc90e63e7 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 82f54bca-5923-4a4e-8f14-b041cb4d3679 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| ce96d078-a993-4b23-8f1d-32ce9794ca0e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4ff907d2-39b9-45d8-a939-a20c70f1e08c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ca75d977-348b-473d-a5a5-c3f1950eee63 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| cde3b1f7-70c6-48a6-adc4-729cf191129a | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 09364361-591c-4014-9ba4-3170e5b046e1 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5bd455ff-f86f-4d82-b62a-7c3d9a8e9b5c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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