4-Chloro-2-methylphenol
fo-e1b23f302a8d882b
Identity
- Type
- Neutral molecule
- CAS
- 1570-64-5
- EC
- 216-381-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
9- 2-methyl-4-chlorophenol
- 4-Chloro-2-cresol
- 4-chloro-o-cresol
- 4-Chlorocresol
- 5-Chloro-2-hydroxytoluene
- o-Cresol, 4-chloro-
- p-Chloro-o-cresol
- PCOC
- Phenol, 4-chloro-2-methyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RHPUJHQBPORFGV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
| IUPAC name chemrof:IUPAC_name | 4-Chloro-2-methylphenol |
| Molecular formula chemrof:molecular_formula | C7H7ClO |
| Molecular mass chemrof:molecular_mass | 142.585 |
| Monoisotopic mass chemrof:monoisotopic_mass | 142.01854, 142.018543 |
| SMILES string chemrof:smiles_string | Cc1cc(Cl)ccc1O |
Known URLs
16Where 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=1570-64-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:1800 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.014.893 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1476 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5022510 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2851 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194121 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/297V63W9RI | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246384 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.994F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C03359 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C03359 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52870 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/14855 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2669 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27105510 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 636be65c-0851-4024-a4d5-82e141feaa2e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b037de6b-067d-4d2c-8dee-256cc4dcccc3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a832266a-9667-432e-bc07-c1fbd5fcb392 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 458c5ce3-7f64-4a7f-95c5-b7def2440b69 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1475cd1e-86eb-45dc-8086-88ad78e9af75 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 37a9d4bb-b376-4ca1-96c9-8ad502308f71 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 176ffb39-a9c7-46b3-a8ae-8f16b6be454e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3d0594b6-4f9f-46f0-b666-6a748fafbcf8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6a6011bb-9132-4800-b086-e0e59fdd6164 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7bb3248c-c01e-41a2-922a-dd4502631ec6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fc3109e4-8c2e-45d4-8970-40f5630a8a42 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 13029e22-b350-4aa1-9c5e-80b2a9af9b95 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 262eb828-5614-4b0f-9b1b-326267b0d86d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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},
{
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],
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}
},
{
"@id": "https://www.wikidata.org/wiki/Q27105510",
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],
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}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "13029e22-b350-4aa1-9c5e-80b2a9af9b95",
"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
"provenance": {
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}
}
},
"classifications": {
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"@value": [
"1570-64-5"
],
"rdfs:seeAlso": [
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],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
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],
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}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"216-381-3"
],
"rdfs:seeAlso": [
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],
"provenance": {
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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A member of the class of phenols that is o-cresol in which the hydrogen para to the hydroxy group is replaced by a chlorine.",
"@language": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi.definition"
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],
"@type": [
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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