Consensus flow list

Triisobutyl Phosphate

fo-3b97289339a7ea97

Identity

Type
Neutral molecule
CAS
126-71-6
EC
204-798-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Triisobutyl Phosphate

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HRKAMJBPFPHCSD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
IUPAC name chemrof:IUPAC_name Triisobutyl 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 CC(C)COP(=O)(OCC(C)C)OCC(C)C

Known URLs

12

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=126-71-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189140 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.363 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.29088.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8040698 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62222 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1887508 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6MKE1AR3GB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J184.350H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D70387 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31355 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15632813 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
34c509d1-a7c3-41c0-8ee0-cff0958827d1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6af8ca87-2c37-4d8d-b9af-2c0bf467d83e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d13693ac-fd77-4f5b-b4af-cd298d9f0912 Environmental → Air → Indoor EF 3.1 kg 4
2c702673-a066-448f-a7db-9f2f707c48e4 Environmental → Air → Long-term EF 3.1 kg 0
ac5cec74-b716-4023-ba76-6e76f14f4f66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
26a21ec0-9cdd-49b4-b558-079e1625a286 Environmental → Air → Unknown EF 3.1 kg 4
dd97633d-f3f4-4d80-9d34-53da3f6175ca Environmental → Ground → Agricultural EF 3.1 kg 4
1be7218e-e84f-4ae6-b016-ed666681ae95 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6c67e430-67a7-4666-9942-0b34340afee3 Environmental → Ground → Unknown EF 3.1 kg 4
15c40435-532b-4643-b5fc-19e6a012b3a2 Environmental → Water → Long-term EF 3.1 kg 0
5f462e0f-9074-4dbc-ba49-460ac4d19034 Environmental → Water → Ocean EF 3.1 kg 4
2a09697b-6605-4194-a82a-96b57a12f824 Environmental → Water → Surface water EF 3.1 kg 4
9554b163-0f08-4624-80d5-b4fa9300b27b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "204-798-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-798-3"
      ],
      "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/NeutralMolecule"
  ]
}

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