Consensus flow list

Identity

Type
Neutral molecule
CAS
78-51-3
EC
201-122-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tris(2-butoxyethyl) Phosphate

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WTLBZVNBAKMVDP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
IUPAC name chemrof:IUPAC_name Tris(2-butoxyethyl) Phosphate
Molecular formula chemrof:molecular_formula C18H39O7P
Molecular mass chemrof:molecular_mass 398.477
Monoisotopic mass chemrof:monoisotopic_mass 398.24334
SMILES string chemrof:smiles_string CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC

Known URLs

17

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=78-51-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35038 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.021 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021758 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4839 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62228 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1534811 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RYA6940G86 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259275 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.828B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14446 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14446 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6540 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24685621 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24729049 enrich_references.chebi_xrefs
reaxys reaxys:1716010 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27116378 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
048b16c2-7499-42d1-99cc-17c46a321d94 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
accfa519-3396-4f96-a9cd-caf3808b1bd7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a6799113-25aa-4427-8dab-60d950c7f493 Environmental → Air → Indoor EF 3.1 kg 4
b3456663-2421-42d7-81a6-e698d0f96c63 Environmental → Air → Long-term EF 3.1 kg 0
2d1dd81c-1737-4aab-8a4c-79f8f4b5e583 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
470806bf-7751-4dec-b9bf-57095987656c Environmental → Air → Unknown EF 3.1 kg 4
26910f8a-c40e-4bb7-b704-be24792cc57f Environmental → Ground → Agricultural EF 3.1 kg 4
a1a8e736-dc16-4b6a-86a2-833d67adecc3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fc07736a-20b5-4eb7-832e-ffeea88e904f Environmental → Ground → Unknown EF 3.1 kg 4
533035a6-e987-4117-bd90-6ed6ee0722c4 Environmental → Water → Long-term EF 3.1 kg 0
93ea760f-4d7d-482f-b95a-5f9f8798d4e1 Environmental → Water → Ocean EF 3.1 kg 4
fda18d2c-a7e1-4c01-b6e5-0f4886bb94df Environmental → Water → Surface water EF 3.1 kg 4
d446ea1a-3f6e-445a-b08b-e07ddc9e53d0 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
{
  "flow_object_id": "fo-ac3e0573b9ac0b07",
  "prefLabel": [
    {
      "@value": "Tris(2-butoxyethyl) Phosphate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Butoxyethanol phosphate",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "Amgard TBEP",
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      }
    },
    {
      "@value": "Ethanol, 2-butoxy-, 1,1′,1′′-phosphate",
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      }
    },
    {
      "@value": "Ethanol, 2-butoxy-, phosphate (3:1)",
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    },
    {
      "@value": "FMC-KP 140",
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      }
    },
    {
      "@value": "Hostaphat B 310",
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    },
    {
      "@value": "Hostaphat TBEP",
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      }
    },
    {
      "@value": "Kronitex KP 140",
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        ],
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      }
    },
    {
      "@value": "Phosflex T-BEP",
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    },
    {
      "@value": "Phosphoric acid, tri-(2-butoxyethyl) ester",
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    },
    {
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    },
    {
      "@value": "TBXP",
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    },
    {
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      }
    },
    {
      "@value": "Tri(butoxylethyl) phosphate",
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      }
    },
    {
      "@value": "Tris(2-n-butoxyethyl) phosphate",
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      "provenance": {
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    },
    {
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    },
    {
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  "properties": {
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