Consensus flow list

Identity

Type
Chemical salt
CAS
6062-26-6
EC
227-989-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium 4-(4-chloro-o-tolyloxy)butyrate

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GABUSZPTCJGKGB-UHFFFAOYSA-M, RWTBDNHSNPNFBH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13ClO3.Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 4-(4-chloro-o-tolyloxy)butyrate
Molecular formula chemrof:molecular_formula C11H12ClNaO3, C11H13ClNaO3
SMILES string chemrof:smiles_string Cc1cc(Cl)ccc1OCCCC(=O)[O-].[Na+]

Known URLs

3

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=6062-26-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.445 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/166604492 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
a5633bd5-ba76-4e0b-ab89-a1328ff19ef1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
eaa3b84e-e025-440f-9c30-4a26017022fe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
068251c1-e261-45ef-9310-6da6737c70ca Environmental → Air → Indoor EF 3.1 kg 2
9919af8b-0d80-4de0-b94f-57021dd1474e Environmental → Air → Long-term EF 3.1 kg 0
81cf8551-5ce0-4a92-8d5a-a1ddad8c172d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4a41a80a-3963-4fbf-b43f-08034108c936 Environmental → Air → Unknown EF 3.1 kg 2
73dadf9d-1ada-45f9-90fc-565474326c86 Environmental → Ground → Agricultural EF 3.1 kg 2
1c4da3a5-f780-4215-b5a8-16e0a7067602 Environmental → Ground → Non-agricultural EF 3.1 kg 2
dec92d77-b0ae-4a9d-9a86-0e16904e22bf Environmental → Ground → Unknown EF 3.1 kg 2
865cf6e0-b9d9-4570-8c20-f19d911bda12 Environmental → Water → Long-term EF 3.1 kg 0
fe9fe674-5454-4015-bd63-b7f6ad27243a Environmental → Water → Ocean EF 3.1 kg 2
1113fb83-f141-4b11-9c7a-d22ba5a71b79 Environmental → Water → Surface water EF 3.1 kg 2
dc399017-98e0-4633-b179-9011a8faf6fd 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-f62fdc7f55276211",
  "prefLabel": [
    {
      "@value": "Sodium 4-(4-chloro-o-tolyloxy)butyrate",
      "@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": "2,4-MCPB sodium salt",
      "@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=6062-26-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[(4-Chloro-o-tolyl)oxy]butyric acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)",
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      }
    },
    {
      "@value": "Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-, sodium salt",
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    },
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    },
    {
      "@value": "MCPB-sodium",
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    },
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    },
    {
      "@value": "Sodium γ-(2-methyl-4-chlorophenoxy)butyrate",
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    },
    {
      "@value": "SYS 67MB",
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    },
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  "properties": {
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        "C11H12ClNaO3",
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          "prov:hadPrimarySource": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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}

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