Consensus flow list

Identity

Type
Neutral molecule
CAS
3772-94-9
EC
223-220-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pentachlorophenyl Laurate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MKNJWAXSYGAMGJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3
IUPAC name chemrof:IUPAC_name Pentachlorophenyl Laurate
Molecular formula chemrof:molecular_formula C18H23Cl5O2
Molecular mass chemrof:molecular_mass 448.645
Monoisotopic mass chemrof:monoisotopic_mass 446.014068
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

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=3772-94-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.110 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9058078 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77542 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W6129G97EO enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.229I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62524 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27292368 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d7522b44-059b-4d83-8f14-46b65df77699 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6953e675-6d8c-4853-ba9e-b2862a3f9dd4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aaa10e93-cd55-410f-a2a3-fffb4ccb256c Environmental → Air → Indoor EF 3.1 kg 2
512702d2-dbf5-4ce5-9ce5-03cc5ff74331 Environmental → Air → Long-term EF 3.1 kg 0
f563141d-bae6-4f95-b64b-a93693ae5870 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
aca2bd65-9112-4ba5-8624-22c580959f2e Environmental → Air → Unknown EF 3.1 kg 2
f347ab77-73bc-4ac3-aafd-d5eab4318eb4 Environmental → Ground → Agricultural EF 3.1 kg 2
d70dfdf5-6436-40d1-89c5-dfdd299f548e Environmental → Ground → Non-agricultural EF 3.1 kg 2
6d5bd954-b04b-43bf-8e48-29f153bb76c6 Environmental → Ground → Unknown EF 3.1 kg 2
6f92348c-cebd-4ff4-a08c-85d205ce3466 Environmental → Water → Long-term EF 3.1 kg 0
56048d4c-b2c1-466d-873d-6eb8a0c1d18e Environmental → Water → Ocean EF 3.1 kg 2
8e788e6e-ee90-4f4f-b24e-3655b6c8cba7 Environmental → Water → Surface water EF 3.1 kg 2
890800ad-0bcc-447f-8607-b734a5e1b0a3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ea0c7ca6c6d1a529",
  "prefLabel": [
    {
      "@value": "Pentachlorophenyl Laurate",
      "@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": "Dodecanoic acid, 2,3,4,5,6-pentachlorophenyl ester",
      "@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=3772-94-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanoic acid, pentachlorophenyl ester",
      "@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=3772-94-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauric acid, pentachlorophenyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3772-94-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3772-94-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauroyl pentachlorophenate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=3772-94-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mystox",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mystox LPL",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Mystox LSD",
      "@language": "en",
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      }
    },
    {
      "@value": "Mystox LSL",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentachlorophenol laurate",
      "@language": "en",
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      }
    },
    {
      "@value": "Phenol, pentachloro-, laurate",
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  "properties": {
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      "provenance": [
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      ]
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      "rdfs:label": "InChIKey",
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      "provenance": [
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3"
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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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