Consensus flow list

Identity

Type
Neutral molecule
CAS
131-17-9
EC
205-016-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Diallyl Phthalate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QUDWYFHPNIMBFC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
IUPAC name chemrof:IUPAC_name Diallyl Phthalate
Molecular formula chemrof:molecular_formula C14H14O4
Molecular mass chemrof:molecular_mass 246.262
Monoisotopic mass chemrof:monoisotopic_mass 246.089209
SMILES string chemrof:smiles_string C=CCOC(=O)c1ccccc1C(=O)OCC=C

Known URLs

14

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=131-17-9 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25053-15-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.562 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0430 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7020392 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7667 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1329372 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F79L0UL6ST enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251127 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.333C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155993 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8560 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/Q2161731 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
053e70c4-3c5b-4290-a400-e67a05facdee Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cd3933fe-1639-4e0b-8235-c3d5e0ab01ec Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
da5f27a1-d8f0-4954-82a9-eefea1357ec9 Environmental → Air → Indoor EF 3.1 kg 4
66f7b12e-0b79-4a51-804c-e4975e0ecfef Environmental → Air → Long-term EF 3.1 kg 0
8f1cb898-d017-475f-9d80-9b76585e436f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a5429f8b-c406-4d0f-8107-03d7a1a6e250 Environmental → Air → Unknown EF 3.1 kg 4
d006acd5-f4a3-4ecb-85e7-3b07ef662731 Environmental → Ground → Agricultural EF 3.1 kg 4
9836ffe1-4bf6-4131-81cd-341ad509a2af Environmental → Ground → Non-agricultural EF 3.1 kg 4
9d9baa39-ef5c-4eb7-868e-041f39e753de Environmental → Ground → Unknown EF 3.1 kg 4
6b39b2a0-5d0c-40e3-98a4-1859724c8a9b Environmental → Water → Long-term EF 3.1 kg 0
4e91a768-8746-4b93-a2d4-d8c27e2db23d Environmental → Water → Ocean EF 3.1 kg 4
0fbb448f-2322-4f3a-8efc-b1df6e8751f1 Environmental → Water → Surface water EF 3.1 kg 4
0c7b9c02-bb13-4963-b0d4-f1d4c9c04258 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f2ac75234405feae",
  "prefLabel": [
    {
      "@value": "Diallyl Phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, di-2-propenyl ester",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Allyl phthalate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Daiso DAP monomer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DAP Monomer",
      "@language": "en",
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      }
    },
    {
      "@value": "Dap Tohto DT 170",
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      }
    },
    {
      "@value": "Dapon R",
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        ],
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      }
    },
    {
      "@value": "Dappu",
      "@language": "en",
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    },
    {
      "@value": "Monoplex DAP",
      "@language": "en",
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    },
    {
      "@value": "Phthalic acid, diallyl ester",
      "@language": "en",
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    },
    {
      "@value": "Satomer SR 9016",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[131-17-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "053e70c4-3c5b-4290-a400-e67a05facdee",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "131-17-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=131-17-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=131-17-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "205-016-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-016-3"
      ],
      "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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