4-tert-butylphenol
fo-e12cf85fddc232d1
Identity
- Type
- Neutral molecule
- CAS
- 98-54-4
- EC
- 202-679-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
10- 4-(1,1-Dimethylethyl)phenol
- 4-tert-Butyl-phenol
- B 110666
- Butylphen
- p-t-Butyl phenol
- p-tert-Butylphenol
- para-tertiary-butylphenol
- Phenol, 4-(1,1-dimethylethyl)-
- Phenol, p-tert-butyl-
- PTBP
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QHPQWRBYOIRBIT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-tert-butylphenol |
| Molecular formula chemrof:molecular_formula | C10H14O |
| Molecular mass chemrof:molecular_mass | 150.221 |
| Monoisotopic mass chemrof:monoisotopic_mass | 150.104465, 150.10447 |
| SMILES string chemrof:smiles_string | CC(C)(C)c1ccc(O)cc1 |
Known URLs
24Where 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=30813-81-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=98-54-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34444 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.436 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0637 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1020221 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3697 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16217 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/p-tert-butylphenol | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O81VMW36CV | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032063 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.579C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14200 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14200 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45245 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7393 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2430 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24801287 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26302341 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26819047 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8462290 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1817334 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2306557 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-tert-Butylphenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 715133d0-5073-403e-8070-69cf2cd1cc02 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| bd12b7c3-da85-4a08-8fde-9ad35e3cdecc | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8c2e922c-aaf6-40b3-9492-b25b4db3e3a8 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7e84b389-0153-4b53-a59f-26fa9c3aeeab | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1833b3bd-80da-4b6e-9651-158926453a54 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c1df1e75-d028-41f6-a483-caf3584701b8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 33384c2b-4142-4084-8595-467e12eb4772 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b15ef7ca-4a74-4be8-8e5f-64720cc74009 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8d2e94b6-22f0-4f57-9f0d-950c604286ee | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4e0fd68d-59ca-419c-9242-ad0325d121c5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7c240684-2d60-4011-86d2-17525cbce969 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e1f7a77d-f826-4308-af5a-6333b9362bf7 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 66175e13-15f7-4c79-b4d4-66f64999b47a | 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