2-tert-butylphenol
fo-6d896ad1d57d24ee
Identity
- Type
- Neutral molecule
- CAS
- 88-18-6
- EC
- 201-807-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- 2-(1,1-Dimethylethyl)phenol
- 2-(tert-Butyl)phenol
- 2-tert-Butyl-1-hydroxybenzene
- o-t-Butylphenol
- o-tert-Butylphenol
- Phenol, 2-(1,1-dimethylethyl)-
- Phenol, o-tert-butyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WJQOZHYUIDYNHM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-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)c1ccccc1O |
Known URLs
17Where 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=27178-34-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=88-18-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34305 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.643 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.895 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1549 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2026525 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108851 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NL2FPV3N0Z | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.174K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14130 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14130 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67533 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6923 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3145 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27115979 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2-tert-Butylphenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a427eb85-2c1e-404e-8c4b-905faffecde0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8470d814-35e7-48e0-88f1-5d9da9ac29a8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 398c379c-4ad8-40a9-a69e-b8202ed9d8f3 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 95308970-66ed-4d33-9055-fa2b94407cfa | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d26d7ebe-4ee0-482a-bfe8-efb269d4d05b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| b6160943-58b6-463d-8444-b2946838c95d | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| dbb2df85-b4ea-418c-b907-9e067a5a3b31 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| cffde4cb-d661-4162-a7a7-b6d5aa4d4f22 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 07fead32-a26a-450e-a507-62f8b8c8cf87 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c14c13d9-e718-432e-997a-d33bb78ac13f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 39b24b97-3e1b-4dd2-9777-018319fd6944 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e9ede2f8-a771-4507-9d6c-342677212ff5 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 905fe1b4-f013-42bc-8cc0-bb91d399c4c9 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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