4-tert-butylbenzene-1,2-diol
fo-5d0bbc7eac117bfc
Identity
- Type
- Neutral molecule
- CAS
- 98-29-3
- EC
- 202-653-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
21- 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
- 1,2-Dihydroxy-4-tert-butylbenzene
- 4-(1,1-Dimethylethyl)-1,2-benzenediol
- 4-(1,1-Dimethylethyl)benzene-1,2-diol
- 4-(1,1-Dimethylethyl)catechol
- 4-TBC
- 4-tert-Butyl-1,2-benzenediol
- 4-tert-Butyl-1,2-dihydroxybenzene
- 4-tert-Butyl-o-catechol
- 4-tert-Butylcatechin
- 4-tert-Butylcatechol
- 4-tert-Butylpyrocatechol
- 5-tert-Butylcatechol
- DIC-TBC 5P
- Inhibitor NLC 10
- p-t-Butylcatechol
- p-tert-Butylcatechol
- p-tert-Butylpyrocatechol
- Pyrocatechol, 4-tert-butyl-
- Q-TBC 5P
- Q-TBC-5P
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-tert-butylbenzene-1,2-diol |
| Molecular formula chemrof:molecular_formula | C10H14O2 |
| Molecular mass chemrof:molecular_mass | 166.22 |
| Monoisotopic mass chemrof:monoisotopic_mass | 166.09938 |
| SMILES string chemrof:smiles_string | CC(C)(C)c1ccc(O)c(O)c1 |
Known URLs
13Where 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=98-29-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.413 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5024687 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5310 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL220845 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9A069144KR | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246584 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.591K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=127313 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7381 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017768 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q840843 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-tert-Butylcatechol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ff4c9a7d-b53e-4964-9686-b73c529088ab | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0d9b9a26-37b7-499a-af16-eb00edd8257f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c53a9fde-0acf-4b19-9ec3-1e1d3cecb0c9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 9fa29556-eb1d-45ff-a0c3-68fa7abe484f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9e9aa4c4-3d0a-45bd-905a-e98840976123 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c610592e-5510-456b-bb47-969af6193a34 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1f929886-d209-442b-a986-87d92087ddfb | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0180e4c8-2eb2-42db-bc89-382653911ad0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2d174b60-b6fe-4c4c-9678-31345aa80429 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d3d08312-aa47-443f-820e-d3463768a7b3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ba3587e4-7eb0-4b3d-9368-9d1f3da0a431 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ef8da89e-fda1-48db-97ee-0058513227c9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| b5cba750-520d-4cc6-a2e2-7b747d4d2882 | 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