Consensus flow list

Identity

Type
Neutral molecule
CAS
87-64-9
EC
201-760-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 6-chloro-o-cresol

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YPNZJHFXFVLXSE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
IUPAC name chemrof:IUPAC_name 6-chloro-o-cresol
Molecular formula chemrof:molecular_formula C7H7ClO
Molecular mass chemrof:molecular_mass 142.585
Monoisotopic mass chemrof:monoisotopic_mass 142.018543
SMILES string chemrof:smiles_string Cc1cccc(Cl)c1O

Known URLs

8

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=87-64-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.601 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0075362 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2878 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EQL8JA6BSZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J67.703E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6898 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72454486 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eed2acb6-d421-4328-a85d-c863bc79e2a4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e321844e-84f8-4e8c-92d7-3e5dad269a6f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5095837e-0347-4a69-af7d-276d5b2ce0a0 Environmental → Air → Indoor EF 3.1 kg 2
8f48463f-0174-4f64-80ee-5b713dd29092 Environmental → Air → Long-term EF 3.1 kg 0
925081bb-51e3-4fb8-8fa9-99339806a2e6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
41664da4-6896-4151-ba7c-933dbb13839d Environmental → Air → Unknown EF 3.1 kg 2
ddd6cc05-b80d-4e15-8fa5-d8624ff36a23 Environmental → Ground → Agricultural EF 3.1 kg 2
468c7c1f-26f9-4784-9408-516c52a6e187 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fec1f059-ee82-4006-9b4c-65edff416cd3 Environmental → Ground → Unknown EF 3.1 kg 2
14d606c8-7905-41d1-b3f6-c3f0b015a8ad Environmental → Water → Long-term EF 3.1 kg 0
f25af917-ec35-4850-924e-95e0e517dab6 Environmental → Water → Ocean EF 3.1 kg 2
5be6e667-68a5-4ee1-b0ac-d81ee3d911d1 Environmental → Water → Surface water EF 3.1 kg 2
4a9e33d0-d564-4b50-b38b-d1b60d726891 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-394ee931d382f6fb",
  "prefLabel": [
    {
      "@value": "6-chloro-o-cresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chloro-6-methylphenol",
      "@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=87-64-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-6-chlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=87-64-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-2-hydroxytoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-2-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Cresol, 6-chloro-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Phenol, 2-chloro-6-methyl-",
      "@language": "en",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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        },
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      ],
      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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}

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