Consensus flow list

Identity

Type
Neutral molecule
CAS
85-68-7
EC
201-622-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Butyl Benzyl Phthalate

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IRIAEXORFWYRCZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
IUPAC name chemrof:IUPAC_name Butyl Benzyl Phthalate
Molecular formula chemrof:molecular_formula C19H20O4
Molecular mass chemrof:molecular_mass 312.365
Monoisotopic mass chemrof:monoisotopic_mass 312.136159, 312.13616
SMILES string chemrof:smiles_string CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1

Known URLs

18

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=85-68-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34595 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.475 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0834 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020205 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=71001 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1450327 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YPC4PJX59M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249068 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.539C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14211 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14211 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-20963 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67427 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2347 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q414809 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzyl_butyl_phthalate enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
e2fb2bd2-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a330-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
2e15cda0-545f-43b6-92d9-b9668bce3c98 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a32f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a331-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a32e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a32c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
08a91e70-3ddc-11dd-9526-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a32d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a333-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9527-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-a332-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
17d0966f231e102ccd86d68701dab1dbc6621395 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a334-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-41a1523714344661",
  "prefLabel": [
    {
      "@value": "Butyl Benzyl Phthalate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester",
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        ],
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      }
    },
    {
      "@value": "2-O-Benzyl 1-O-butyl benzene-1,2-dicarboxylate",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "BBP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl butyl phthalate",
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      }
    },
    {
      "@value": "Benzyl n-butyl phthalate",
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      }
    },
    {
      "@value": "Butyl phenylmethyl 1,2-benzenedicarboxylate",
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    },
    {
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    },
    {
      "@value": "Diacizer D 160",
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    },
    {
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    {
      "@value": "n-Butyl benzyl phthalate diester",
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    },
    {
      "@value": "Palatinol BB",
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    },
    {
      "@value": "Phthalic acid, benzyl butyl ester",
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    },
    {
      "@value": "Spatozoate",
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        ],
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      }
    },
    {
      "@value": "Unimoll BB",
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  "properties": {
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