Consensus flow list

Dibutyl Phthalate

fo-e777c69525023cb2

Identity

Type
Neutral molecule
CAS
84-74-2
EC
201-557-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dibutyl Phthalate

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

37

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DOIRQSBPFJWKBE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
IUPAC name chemrof:IUPAC_name Dibutyl Phthalate
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)c1ccccc1C(=O)OCCCC

Known URLs

45

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=52953-84-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=84-74-2 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TID59F8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34687 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.416 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0036 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021781 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13716 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4414 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4414 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6370 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755894 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL272485 enrich_references.pubchem_identifier_url
gmelin gmelin:262569 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2286E5R2KE enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033244 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.882B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14214 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14214 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45953 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76745 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/M1L7MKCTM99C enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL272485 enrich_references.pubchem_identifier_url
ppdb ppdb:2924 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3026 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11133400 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16232742 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19840837 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24213843 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24468924 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24616073 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26730679 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27655612 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28102498 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28363850 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28486587 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28566680 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28580302 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28753974 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28822891 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28823096 enrich_references.chebi_xrefs
reaxys reaxys:1914064 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q415612 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dibutyl_phthalate enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
e2fb2bcd-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa80-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f1d4aece-6d7e-47e0-92cd-1ce8e30648e8 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa7f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aa81-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa7e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa7c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9b6a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
739277ffb3e6f40bbfb97ea71b4466cdd65622ad Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-aa7d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa83-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9b6b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-aa82-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
de22d87e24bde66104db94b30201e7d70ed43f9c Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-aa84-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
      "@value": "Dibutyl Phthalate",
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  "altLabel": [
    {
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    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester",
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    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, dibutyl ester",
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    },
    {
      "@value": "Bis-n-butyl phthalate",
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    },
    {
      "@value": "Butyl phthalate",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Celluflex DPB",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DBP (ester)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di(n-butyl) 1,2-benzenedicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di-n-butyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Dibutyl 1,2-benzenedicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dibutyl benzene-1,2-dicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dibutyl ester 1,2-benzenedicarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyl o-phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dibutyl-o-phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Elaol",
      "@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=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ergoplast FDB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Genoplast B",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hatco DBP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexaplas M/B",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kodaflex DBP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D003993",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monocizer DBP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Butyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34687"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "o-Benzenedicarboxylic acid dibutyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34687"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Palatinol C",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phthalic acid di-n-butyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34687"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phthalic acid dibutyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34687"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phthalic acid, dibutyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Plasthall DBP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84-74-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=84-74-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polycizer DBP",
      "@language": "en",
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