Consensus flow list

Identity

Type
Neutral molecule
CAS
126-73-8
EC
204-800-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tributyl Phosphate

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string STCOOQWBFONSKY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
IUPAC name chemrof:IUPAC_name Tributyl Phosphate
Molecular formula chemrof:molecular_formula C12H27O4P
Molecular mass chemrof:molecular_mass 266.318
Monoisotopic mass chemrof:monoisotopic_mass 266.164696, 266.1647
SMILES string chemrof:smiles_string CCCCOP(=O)(OCCCC)OCCCC

Known URLs

23

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
beilstein beilstein:1710584 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=126-73-8 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TC757E20.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35019 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.365 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0584 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021986 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8484 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1371096 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95UAS8YAF5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259164 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.623D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14439 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14439 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55063 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1259 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31357 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=188435 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23644771 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23963271 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1314418 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q613394 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tributyl_phosphate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1eda6f6f-d5a7-4711-8d74-929b35f9184d Environmental → Air → Aircraft cruise height EF 3.1 kg 6
35fac9b6-8ecb-41fb-87b1-9b280714ce78 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
8ed15ef2-9a74-434e-af04-739c11ae2a9f Environmental → Air → Indoor EF 3.1 kg 6
2776db16-67b0-45f3-84a5-8ec6887ec64f Environmental → Air → Long-term EF 3.1 kg 0
62e89f55-d84d-4e7f-bf56-9c67ce294081 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
5663ffe1-7b3a-41d7-9af3-d0f6f095990a Environmental → Air → Unknown EF 3.1 kg 6
3dbcd5c0-ab3e-4956-a9e8-25b9a9255f78 Environmental → Ground → Agricultural EF 3.1 kg 6
1d1b0cc1-f069-45a0-9306-26ee9aa9d6d9 Environmental → Ground → Non-agricultural EF 3.1 kg 6
f945b6ba-c3e6-429d-aadf-bea0df1bc732 Environmental → Ground → Unknown EF 3.1 kg 6
098165e4-67be-4137-a008-ffe74c7ea9f4 Environmental → Water → Long-term EF 3.1 kg 0
0c1650d0-589c-4e94-86a3-f7a727ddc4f8 Environmental → Water → Ocean EF 3.1 kg 6
8fb8af9a-ca0d-48af-b5b1-a3b347990734 Environmental → Water → Surface water EF 3.1 kg 6
a6006446-de1e-48f0-8642-0923aa75f9ae Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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      "@value": "941PL",
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    {
      "@value": "BK-A 001",
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      }
    },
    {
      "@value": "Butyl phosphate ((BuO)3PO)",
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    {
      "@value": "Celluphos 4",
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    {
      "@value": "Degressal SD 40",
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    },
    {
      "@value": "Disflamoll TB",
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    },
    {
      "@value": "Moussex 941PL",
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    },
    {
      "@value": "Phosflex 4",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric acid tri-n-butyl ester",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Phosphoric acid tributyl ester",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric acid, tributyl ester",
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    },
    {
      "@value": "TBP",
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    },
    {
      "@value": "TBPA",
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      }
    },
    {
      "@value": "Tri-n-butyl phosphate",
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    },
    {
      "@value": "Tributoxyphosphine oxide",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Tributyle (phosphate de)",
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    },
    {
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      }
    },
    {
      "@value": "Tributylphosphate",
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  ],
  "properties": {
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    },
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    },
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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      },
      "attested_by": {
        "Tributyl Phosphate": [
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    }
  },
  "references": [
    {
      "@id": "beilstein:1710584",
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