4-Isopropylphenol
fo-75cc9b4f64cd1862
Identity
- Type
- Neutral molecule
- CAS
- 99-89-8
- EC
- 202-798-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
10- 1-hydroxy-4-isopropylbenzene
- 4-(1-methylethyl)phenol
- 4-(propan-2-yl)phenol
- 4-hydroxycumene
- Australol
- p-cumenol
- p-hydroxycumene
- P-isopropylphenol
- Phenol, 4-(1-methylethyl)-
- Phenol, p-isopropyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YQUQWHNMBPIWGK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 4-Isopropylphenol |
| Molecular formula chemrof:molecular_formula | C9H12O |
| Molecular mass chemrof:molecular_mass | 136.194 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.088815, 136.08882 |
| SMILES string chemrof:smiles_string | CC(C)c1ccc(O)cc1 |
Known URLs
23Where 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=99-89-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:167172 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.544 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.7185.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5042299 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1888 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL29966 | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB005302 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9F59JOO816 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031446 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.396I | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44881 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7465 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=580558 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16567400 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26219367 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27486708 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29225186 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30519707 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32970353 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1363564 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27272471 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Isopropylphenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7b947ddb-b6b5-42ed-9959-70ebb56397c0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a873e067-d765-430e-a7b8-56b6a06237f7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fc0715cc-d154-4d59-bee8-9d743de104ea | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 7bfd9a0e-4a89-4911-897b-c70a7102618d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e20fa467-ba08-4fad-a1c5-c4cc3d5c7e10 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3a4650bf-a3e1-4da2-90cb-be1d0df90a89 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3ce7288b-2a38-4b26-93b7-7ab9f4c2b54e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 07470cec-63e8-4d1d-8660-34e5c6a2b5a2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| bcb5d581-5433-498a-8a7b-fb98b65c6ccb | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 79f505d5-6e81-4d16-b8ae-9a698aa78f42 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2a93da63-fc27-40d5-92f7-e23b154e872a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| eed83497-d097-40c5-828e-415449c1bf14 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e2842bcc-b11b-4efb-afcb-2fc7b5537bb8 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
{
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{
"@value": "4-Isopropylphenol",
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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