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Octylphosphonic Acid

fo-474e791056414eb2

Identity

Type
Neutral molecule
CAS
4724-48-5
EC
225-218-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Octylphosphonic Acid

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NJGCRMAPOWGWMW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)
IUPAC name chemrof:IUPAC_name Octylphosphonic Acid
Molecular formula chemrof:molecular_formula C8H19O3P
Molecular mass chemrof:molecular_mass 194.211
Monoisotopic mass chemrof:monoisotopic_mass 194.107181
SMILES string chemrof:smiles_string CCCCCCCCP(=O)(O)O

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=4724-48-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.925 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3044679 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182594 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95C2AW87BO enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J262.410I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78452 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27271779 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5e0596ac-2d67-4250-ab92-778bf7790b66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b1b3b76-6540-4521-b857-839d3ddb4dfa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bfb400f8-3a45-4452-8435-7c0600f7487f Environmental → Air → Indoor EF 3.1 kg 4
0d042a53-ab1a-45f7-a3ba-2219e3daed24 Environmental → Air → Long-term EF 3.1 kg 0
51d01fd8-ce5a-4a49-bbee-e4925df9d231 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
47f7da3e-84e6-4cb2-8d55-a856cc0a95ac Environmental → Air → Unknown EF 3.1 kg 4
4e0eae91-c88f-4379-9017-079fe48d2857 Environmental → Ground → Agricultural EF 3.1 kg 4
45ba0a6c-5c01-4add-9152-671359da67db Environmental → Ground → Non-agricultural EF 3.1 kg 4
5c5aceb9-31d6-48a5-939a-357e10120561 Environmental → Ground → Unknown EF 3.1 kg 4
dad9cde2-a31d-4638-8880-c05f597d1c63 Environmental → Water → Long-term EF 3.1 kg 0
b4559be9-9a3a-49fd-a030-76d1b0c305b4 Environmental → Water → Ocean EF 3.1 kg 4
96ff3bac-033d-4120-a729-db3d011af795 Environmental → Water → Surface water EF 3.1 kg 4
615eed01-61c1-48e6-94e4-af45fb35d04b 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-474e791056414eb2",
  "prefLabel": [
    {
      "@value": "Octylphosphonic Acid",
      "@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": "1-Octanephosphonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4724-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4724-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hostaphat OPS 100",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4724-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4724-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hostaphat OPS 75",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4724-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4724-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hostaphat OPS 75E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4724-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4724-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Octyl-1-phosphonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4724-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4724-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Octylphosphonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octanephosphonic acid",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=4724-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "P-Octylphosphonic acid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, octyl-",
      "@language": "en",
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        ],
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    },
    {
      "@value": "Phosphonic acid, P-octyl-",
      "@language": "en",
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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    },
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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        },
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          "prov:hadPrimarySource": [
            "CCCCCCCCP(=O)(O)O"
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      "attested_by": {
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    },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "created_from": {
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    "semantic_typing": {
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  "@type": [
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  ]
}

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