Consensus flow list

Dibutyl Terephthalate

fo-9f89d54f9fd6e64b

Identity

Type
Neutral molecule
CAS
1962-75-0
EC
217-803-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Dibutyl Terephthalate

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LQLQDKBJAIILIQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
IUPAC name chemrof:IUPAC_name Dibutyl Terephthalate
Molecular formula chemrof:molecular_formula C16H22O4
Molecular mass chemrof:molecular_mass 278.348
Monoisotopic mass chemrof:monoisotopic_mass 278.151809, 278.15181
SMILES string chemrof:smiles_string CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1

Known URLs

10

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=1962-75-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:180625 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.186 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.15254.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022168 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6349 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7O6SH6VN97 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J61.324J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16066 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27268641 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d41f0f78-972c-44ce-8c01-0b9689a79c5a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b2879bf8-6226-4c29-a094-632108a855f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0d26d07a-0dcc-4168-8aac-88d426060696 Environmental → Air → Indoor EF 3.1 kg 4
af557692-2a97-4ee3-97fe-828c2c0da396 Environmental → Air → Long-term EF 3.1 kg 0
342b67d6-f8e2-482b-a102-ccacc527426f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
94dff193-b381-4921-8bbd-4cc8cc267508 Environmental → Air → Unknown EF 3.1 kg 4
ec154caa-073d-4793-a4b0-8df896f907a0 Environmental → Ground → Agricultural EF 3.1 kg 4
c1a676c0-7b59-466d-885c-622d7c761930 Environmental → Ground → Non-agricultural EF 3.1 kg 4
255012c7-4479-44b3-b19b-e5bb033d3e29 Environmental → Ground → Unknown EF 3.1 kg 4
a08c1f5d-1885-4f90-8ea1-572883f04d33 Environmental → Water → Long-term EF 3.1 kg 0
a47cc0fc-0d5b-4448-85a9-a80e908220af Environmental → Water → Ocean EF 3.1 kg 4
a860c530-92eb-48b3-907b-0b7149596b9f Environmental → Water → Surface water EF 3.1 kg 4
207ccf3d-589c-425d-87b5-66f453a2aaa0 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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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "217-803-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=217-803-9"
      ],
      "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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