Consensus flow list

Identity

Type
Neutral molecule
CAS
18755-43-6
EC
242-555-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethyl Propylphosphonate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YWDFOLFVOVCBIU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H13O3P/c1-4-5-9(6,7-2)8-3/h4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name Dimethyl Propylphosphonate
Molecular formula chemrof:molecular_formula C5H13O3P
Molecular mass chemrof:molecular_mass 152.13
Monoisotopic mass chemrof:monoisotopic_mass 152.060231
SMILES string chemrof:smiles_string CCCP(=O)(OC)OC

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=18755-43-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.671 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0066406 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/62C4FYU7CE enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2931.42.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J222.295G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87779 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81992994 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
caea4bb3-f042-48e5-95d3-92abc98019b5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
912aef27-a27a-491f-8fac-b5b145a9a1c8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
86298400-8cf8-432c-88ee-29fc00b9a955 Environmental → Air → Indoor EF 3.1 kg 4
5697380c-a0d1-4338-819b-3c664f064a08 Environmental → Air → Long-term EF 3.1 kg 0
23f94a6c-1315-405d-ba38-897542700f9e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
24124233-4724-48bd-a84e-2320bfd1751a Environmental → Air → Unknown EF 3.1 kg 4
b3a37b2b-7529-47ed-8aa0-90bfd3a556d5 Environmental → Ground → Agricultural EF 3.1 kg 4
b5346f7c-8e69-48c7-9839-a92f394fe82c Environmental → Ground → Non-agricultural EF 3.1 kg 4
9d374527-2a46-4219-8265-62803283c604 Environmental → Ground → Unknown EF 3.1 kg 4
7eeeb4da-1587-4e2e-840e-ccdc700b92ac Environmental → Water → Long-term EF 3.1 kg 0
de69ba6a-d49f-45f3-88f7-6ccce991f884 Environmental → Water → Ocean EF 3.1 kg 4
8d8d71b2-ca61-41ed-9036-d5bcf6526113 Environmental → Water → Surface water EF 3.1 kg 4
fe29fb6a-9ac7-43e9-8908-6eb862e25464 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-5d0a4100e9c53c53",
  "prefLabel": [
    {
      "@value": "Dimethyl Propylphosphonate",
      "@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": "Dimethyl propanephosphonate",
      "@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=18755-43-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DMPP",
      "@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=18755-43-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Levagard DMPP",
      "@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": "Phosphonic acid, P-propyl-, dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, propyl-, dimethyl ester",
      "@language": "en",
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      "provenance": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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      ],
      "attested_by": {
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  },
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}

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