4-ethylphenol
fo-a64dda4478610460
Identity
- Type
- Neutral molecule
- CAS
- 123-07-9
- EC
- 204-598-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
10- (4-Hydroxyphenyl)ethane
- (p-Hydroxyphenyl)ethane
- 1-Ethyl-4-hydroxybenzene
- 1-Hydroxy-4-ethylbenzene
- p-Ethylphenol
- p-Hydroxyethylbenzene
- para-Ethylphenol
- Paraethylphenol
- Phenol, 4-ethyl-
- Phenol, p-ethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HXDOZKJGKXYMEW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 4-ethylphenol |
| Molecular formula chemrof:molecular_formula | C8H10O |
| Molecular mass chemrof:molecular_mass | 122.167 |
| Monoisotopic mass chemrof:monoisotopic_mass | 122.07316, 122.073165 |
| SMILES string chemrof:smiles_string | CCc1ccc(O)cc1 |
Known URLs
27Where 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=123-07-9 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=152399-67-2 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=29471-88-3 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49584 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.181 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4021977 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62012 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108475 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/p-ethylphenol | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AGG7E6G0ZC | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0029306 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.496A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C13637 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C13637 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00029528 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43765 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-10596 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:ETY | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/31242 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=026884 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11724248 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22908955 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23311591 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24444954 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1363317 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q409853 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Ethylphenol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4f18ce8f-49a9-4bc9-aa95-bac8c98ef4ca | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 327d37f9-e9fe-478b-adb7-1febfb2c87a2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 484afb68-1b65-4639-8c53-367289be7602 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 82f8fc4f-85fb-4225-86ca-da90ddfce666 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5e44ee03-72d3-407a-96cf-97fc5cb060b7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 429cd4c9-98f7-4f06-a6b0-85580e9b2599 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b391e558-925d-4723-9775-23d4b3d4733b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 9f74a9e2-89ef-438f-95b9-c7efde06c1b1 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6f60ec5b-bcbc-4b8a-8da4-7f80e5d4123c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 745357a5-bf7e-4cbb-b267-19cca8d6d879 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aa3cbdb7-0e72-4162-9ed8-80d12039f278 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 1ab570ad-c140-486b-b81f-cf06d21c34b4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d2037160-6db1-4f79-9cf9-81f396d8833e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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