5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol
fo-685796e7f5acb04b
Identity
- Type
- Neutral molecule
- CAS
- 14078-41-2
- EC
- 604-200-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
16- 2,2′-Biphenyldiol, 3,3′-di-tert-butyl-5,5′-dimethoxy-
- 2,2′-Dihydroxy-3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl
- 2,2′-Dihydroxy-3,3′-di-tert-butyl-5,5′-dimethoxydiphenyl
- 2,2′-Dihydroxy-5,5′-dimethoxy-3,3′-di-tert-butylbiphenyl
- 2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenol
- 3,3′-Bis(1,1-dimethylethyl)-5,5′-dimethoxy[1,1′-biphenyl]-2,2′-diol
- 3,3′-Bis(tert-butyl)-5,5′-dimethoxybiphenyl-2,2′-diol
- 3,3′-Di-tert-butyl-2,2′-dihydroxy-5,5′-dimethoxy-1,1′-biphenyl
- 3,3′-Di-tert-butyl-2,2′-dihydroxy-5,5′-dimethoxybiphenyl
- 3,3′-Di-tert-butyl-2,2′-dihydroxy-5,5′-dimethoxydiphenyl
- 3,3′-Di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diol
- 3,3′-Di-tert-butyl-5,5′-dimethoxybiphenyl-2,2′-diol
- 5,5′-Dimethoxy-3,3′-di-tert-butylbiphenyl-2,2′-diol
- 6,6′-Di(tert-butyl)-4,4′-dimethoxy-2,2′-biphenol
- [1,1′-Biphenyl]-2,2′-diol, 3,3′-bis(1,1-dimethylethyl)-5,5′-dimethoxy-
- o,o′-Biphenol, 6,6′-di-tert-butyl-4,4′-dimethoxy-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CBYWHFTZNVZQHV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H30O4/c1-21(2,3)17-11-13(25-7)9-15(19(17)23)16-10-14(26-8)12-18(20(16)24)22(4,5)6/h9-12,23-24H,1-8H3 |
| IUPAC name chemrof:IUPAC_name | 5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol |
| Molecular formula chemrof:molecular_formula | C22H30O4 |
| Molecular mass chemrof:molecular_mass | 358.478 |
| Monoisotopic mass chemrof:monoisotopic_mass | 358.214409 |
| SMILES string chemrof:smiles_string | COc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 |
Known URLs
8Where 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=14078-41-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.127.777 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00930919 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S16M65880C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244597 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J392.984A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/119234 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27288431 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3906d3c6-0078-458d-be9d-2710c545752e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 640e87be-6997-4d9c-88d1-ee1664e02124 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 798f70ee-b56e-4906-b659-3bd97366b442 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d66147b8-940a-4827-9c10-21631891c65c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 76a618b6-4146-42bf-a91f-2377561feaee | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 5f3cf9ff-6c2b-4529-aadf-320c5e81be0c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d1e04773-d6b3-47b7-aa0b-46bf2f9cf33f | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a6046689-59ab-48bf-b078-1632b2c3b481 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b9e023d6-53ec-4c30-b7f6-ccd91e728d5a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 83b0e022-161a-45a6-a9f8-1e1196289ee7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| eb14478a-708d-449e-8990-6d075437e45e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 0da5467d-4268-4384-bcc1-f042e09a09ec | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e15e0d75-bc8c-47bc-8779-450f2b938802 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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