← Back to consensus flows

Isooctyl acrylate

UUID 1385e595-f406-4441-a942-9fe29d60492d
Flow Object IDfo-92f10e7c102ce335
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 29590-42-9
EC Numbers 249-707-8
prefLabel
Language Value Provenance
en Isooctyl acrylate
altLabel
Language Value Provenance
en 2-Propenoic acid, isooctyl ester
en Acrylic acid, isooctyl ester
en DS 2051
en IO-AA
en Light Acrylate IO-A
en Miramer M 1084
en SR 440
en Sartomer SR 440
en Reaction Products Of 2-propenoic Acid With Alcohols , C7-9 Iso, C8 Rich
References
Shared Properties
Predicate Value
InChIKey DXPPIEDUBFUSEZ-UHFFFAOYSA-N
InChI InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3
IUPAC name 2-propenoic acid 6-methylheptyl ester, 6-methylheptyl prop-2-enoate, acrylic acid 6-methylheptyl ester
Molecular formula C11H20O2
SMILES CC(C)CCCCCOC(=O)C=C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1385e595-f406-4441-a942-9fe29d60492d reaction products of 2-propenoic acid with alcohols , c7-9 iso, c8 rich

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 reaction products of 2-propenoic acid with alcohols , c7-9 iso, c8 rich Emissions/Emissions to air/Emissions to air, indoor kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=reactionproductsof2-propenoicacidwithalcohols,c7-9iso,c8rich||dimension=Environmental > media=Water > water_body=Unknown; cas=29590-42-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, isooctyl ester, Acrylic acid, isooctyl ester, DS 2051, IO-AA, Isooctyl acrylate, Light Acrylate IO-A, Miramer M 1084, SR 440, Sartomer SR 440; object_uuid=fo-92f10e7c102ce335
cas_match_labels 1 consensus_match group_key=reactionproductsof2-propenoicacidwithalcohols,c7-9iso,c8rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'29590-42-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-92f10e7c102ce335: {'29590-42-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Propenoic acid, isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acrylic acid, isooctyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DS 2051', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'IO-AA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isooctyl acrylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Light Acrylate IO-A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Miramer M 1084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SR 440', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sartomer SR 440', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29590-42-9', 'https://commonchemistry.cas.org/detail?cas_rn=29590-42-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=reactionproductsof2-propenoicacidwithalcohols,c7-9iso,c8rich||dimension=Environmental > media=Water > water_body=Unknown; cas=29590-42-9; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, isooctyl ester, Acrylic acid, isooctyl ester, DS 2051, IO-AA, Isooctyl acrylate, Light Acrylate IO-A, Miramer M 1084, SR 440, Sartomer SR 440; object_uuid=fo-92f10e7c102ce335
cas_match_labels None {'29590-42-9': 'exactMatch'} group_key=reactionproductsof2-propenoicacidwithalcohols,c7-9iso,c8rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'29590-42-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-92f10e7c102ce335: {'29590-42-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "1385e595-f406-4441-a942-9fe29d60492d",
  "name": null,
  "cas_numbers": [
    "29590-42-9"
  ],
  "ec_numbers": [
    "249-707-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.1942
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00013977
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00013977
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.1942
    }
  ],
  "source": "EF 3.1",
  "identifier": "1385e595-f406-4441-a942-9fe29d60492d",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "1385e595-f406-4441-a942-9fe29d60492d",
      "source_flow_name": "reaction products of 2-propenoic acid with alcohols , c7-9 iso, c8 rich",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Isooctyl acrylate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "CID:165746"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H20O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DXPPIEDUBFUSEZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CCCCCOC(=O)C=C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-propenoic acid 6-methylheptyl ester",
        "6-methylheptyl prop-2-enoate",
        "acrylic acid 6-methylheptyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.451K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.045.174",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1743",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "29590-42-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00274047",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GU1V16S82F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/165746",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[29590-42-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#3082",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1877930",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27279281",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165746;CAS:29590-42-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[29590-42-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propenoic acid, isooctyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylic acid, isooctyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DS 2051",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "IO-AA",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Light Acrylate IO-A",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Miramer M 1084",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SR 440",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sartomer SR 440",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:29590-42-9",
          "https://commonchemistry.cas.org/detail?cas_rn=29590-42-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Reaction Products Of 2-propenoic Acid With Alcohols , C7-9 Iso, C8 Rich",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1385e595-f406-4441-a942-9fe29d60492d"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "29590-42-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/1385e595-f406-4441-a942-9fe29d60492d",
        "skos:prefLabel": "reaction products of 2-propenoic acid with alcohols , c7-9 iso, c8 rich",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/1385e595-f406-4441-a942-9fe29d60492d"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-92f10e7c102ce335"
}