Consensus flow list

Identity

Type
Molecular complex
CAS
5026-62-0
EC
225-714-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 4-(methoxycarbonyl)phenolate

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KRCMKUNIILUXPF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;
IUPAC name chemrof:IUPAC_name 4-Hydroxybenzoic acid methyl ester sodium salt
Molecular formula chemrof:molecular_formula C8H8NaO3
Molecular mass chemrof:molecular_mass 175.139
Monoisotopic mass chemrof:monoisotopic_mass 175.037113
SMILES string chemrof:smiles_string COC(=O)c1ccc(O)cc1.[Na]

Known URLs

2

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=5026-62-0 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66588494 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
8b707c66-fd91-4f14-940c-5c506d79e399 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5702e3b3-68ec-4e03-ab38-e55e52b4e298 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
049dcb27-00f8-41b9-986d-c4fb59ab45b1 Environmental → Air → Indoor EF 3.1 kg 4
4abde74e-58ef-425b-8742-30a77b7dd36f Environmental → Air → Long-term EF 3.1 kg 0
a4cf79a2-4c35-42ae-a18c-cabd47ece659 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9a6beba8-e494-487d-8a50-c5d5a0a85e32 Environmental → Air → Unknown EF 3.1 kg 4
9ea409cf-847b-4d8f-81d6-3acc62a75f0c Environmental → Ground → Agricultural EF 3.1 kg 4
72526831-da17-489d-bd10-8c02e706760f Environmental → Ground → Non-agricultural EF 3.1 kg 4
7977abb3-3c9a-485b-a650-aa6bcfe0304c Environmental → Ground → Unknown EF 3.1 kg 4
343ca103-78fb-45e5-a35a-17f27c2adcc2 Environmental → Water → Long-term EF 3.1 kg 0
7c329b5b-4601-45ce-a47a-f710d5cadcda Environmental → Water → Ocean EF 3.1 kg 4
c08200c8-668a-44f2-b9b1-59d0dfde72a4 Environmental → Water → Surface water EF 3.1 kg 4
b6ce9c16-d3c4-4e82-b4fc-81b65c403113 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-22ec0529075f52ed",
  "prefLabel": [
    {
      "@value": "Sodium 4-(methoxycarbonyl)phenolate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Hydroxybenzoic acid methyl ester sodium salt",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-hydroxy-, methyl ester, sodium salt",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "Benzoic acid, 4-hydroxy-, methyl ester, sodium salt (1:1)",
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        ],
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      }
    },
    {
      "@value": "Benzoic acid, p-hydroxy-, methyl ester, sodium salt",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bonomold OMNa",
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        ],
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      }
    },
    {
      "@value": "Methyl 4-hydroxybenzoate sodium salt",
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      }
    },
    {
      "@value": "Methyl p-hydroxybenzoate sodium salt",
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        ],
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      }
    },
    {
      "@value": "Methylparaben sodium",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Nipagin MNA",
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      }
    },
    {
      "@value": "Nipagin Monosodium",
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    },
    {
      "@value": "p-Hydroxybenzoic acid methyl ester sodium salt",
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    },
    {
      "@value": "Preserval MS",
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    {
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    },
    {
      "@value": "Sodium methyl 4-hydroxybenzoate",
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      "@value": "Sodium methyl p-hydroxybenzoate",
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    },
    {
      "@value": "Sodium methyl para-hydroxybenzoate",
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    },
    {
      "@value": "Sodium methylparaben",
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    },
    {
      "@value": "Sodium nipagin",
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    {
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    },
    {
      "@value": "Sodium, (p-carboxyphenoxy)-, methyl ester",
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    },
    {
      "@value": "Solbrol M Na salt",
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    },
    {
      "@value": "Solparol",
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  "properties": {
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      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5026-62-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5026-62-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5026-62-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "225-714-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=225-714-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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