Consensus flow list

4-Chloro-3,5-dimethylphenol

fo-b826b24cda602853

Identity

Type
NeutralMolecule
CAS
88-04-0
EC
201-793-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 4-Chloro-3,5-dimethylphenol

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
molluscicide CHEBI:33904 A substance used to destroy pests of the phylum Mollusca. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OSDLLIBGSJNGJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
IUPAC name chemrof:IUPAC_name 4-Chloro-3,5-dimethylphenol
Molecular formula chemrof:molecular_formula C8H9ClO
Molecular mass chemrof:molecular_mass 156.612
Monoisotopic mass chemrof:monoisotopic_mass 156.03419, 156.034193
SMILES string chemrof:smiles_string Cc1cc(O)cc(C)c1Cl

Known URLs

49

Where 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=88-04-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34393 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.631 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.924 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0032316 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11121 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3094 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3094 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4971 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=756683 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL398440 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0F32U78V2Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246387 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.285D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14715 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D03473 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14715 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03473 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-19962 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152456 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76743 enrich_references.pubchem_identifier_url
patent patent:US2350677 enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL398440 enrich_references.pubchem_identifier_url
ppdb ppdb:1615 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2723 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=159829 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12927380 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15167195 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1608902 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17498419 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19818989 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21860168 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22865169 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27316554 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27857768 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28531838 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3855184 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6283866 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7779444 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8066978 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8265774 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8272409 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8906435 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9124667 enrich_references.chebi_xrefs
reaxys reaxys:1862539 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/20877 enrich_references.pubchem_identifier_url
vsdb vsdb:1615 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q426460 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chloroxylenol enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
7134bdd9-4c21-417c-bcce-29c0b1a0d5af Environmental → Air → Aircraft cruise height EF 3.1 kg 2
05222381-a058-4461-b891-6be2b54c2d0d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
04d737cd-de65-44c7-a895-71bb5a40262c Environmental → Air → Indoor EF 3.1 kg 2
86f8f0d2-a23b-4099-ae41-1efdea43dd04 Environmental → Air → Long-term EF 3.1 kg 0
56a5b048-0ab6-4b78-97ef-73af2f4909ca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f50879df-6060-4d74-8c9b-d37c2574696c Environmental → Air → Unknown EF 3.1 kg 2
f1e50af0-57d0-493a-b1fc-4eebad465230 Environmental → Ground → Agricultural EF 3.1 kg 2
1fb56e32-adef-4d91-980a-222a90f2b9b2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c306f0ffdef532773099229bef4997951826b079 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7b1abe54-db95-4236-88d8-387a106f7442 Environmental → Ground → Unknown EF 3.1 kg 2
de1ac400-8350-479c-9c5e-a2cb27182a10 Environmental → Water → Long-term EF 3.1 kg 0
f22f56c8-9811-4a9e-9073-6f515ec748a3 Environmental → Water → Ocean EF 3.1 kg 2
87bf8cf2-20d5-4e5a-a46c-afb8794727b1 Environmental → Water → Surface water EF 3.1 kg 2
3cb415f0-1395-418f-9d5b-6551daf854ca Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b826b24cda602853",
  "prefLabel": [
    {
      "@value": "4-Chloro-3,5-dimethylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,6-Dimethyl-4-hydroxy-1-chlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-chloro-5-hydroxy-1,3-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-chloro-5-hydroxy-m-xylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Chloro-m-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,5-dimethyl-4-chlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,5-Dimethyl-p-chlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Xylenol, 4-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-chloro-1-hydroxy-3,5-dimethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-chloro-3,5-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "4-Chloro-5,3-dimethylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-chloro-m-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzytol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Camel",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Camel (pesticide)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "chloro-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chloroxylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chloroxylenolum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cloroxilenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Desson",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dettol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dettol (biocide)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ecotru",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Espadol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Finecide C 2000",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hokubarine E 400",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Husept Extra",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipacide PX",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipacide PX-R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ottasept",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ottasept Extra",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:88-04-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=88-04-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-chloro-3,5-xylenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34393"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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