← Back to consensus flows

2-methylbutyl Acrylate

UUID 7871fb4d-d5b3-427e-b480-ee64362482e9
Deprecated yes
Replaced By 2d418c6c-604d-4284-9126-1077a50b9dcb
Flow Object IDfo-b46b478084a12e74
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 44914-03-6
EC Numbers 256-170-3
prefLabel
Language Value Provenance
en 2-methylbutyl Acrylate
altLabel ⓘ
Language Value Provenance
en 2-Methylbutyl prop-2-enoate
en 2-Propenoic acid, 2-methylbutyl ester
References
Shared Properties
Predicate Value
InChIKey AISGCPJYLZUZOS-UHFFFAOYSA-N, NCTBYWFEJFTVEL-UHFFFAOYSA-N
InChI InChI=1S/C16H16O2/c1-11-7-3-5-9-13(11)15(17)16(18)14-10-6-4-8-12(14)2/h3-10,15,17H,1-2H3, InChI=1S/C8H14O2/c1-4-7(3)6-10-8(9)5-2/h5,7H,2,4,6H2,1,3H3
IUPAC name 1,2-bis(2-methylphenyl)-2-oxidanyl-ethanone, 2-hydroxy-1,2-bis(2-methylphenyl)ethanone, 2-hydroxy-1,2-bis(o-tolyl)ethanone, 2-methylbutyl prop-2-enoate, 2-propenoic acid 2-methylbutyl ester, acrylic acid 2-methylbutyl ester
Molecular formula C16H16O2, C8H14O2
SMILES CC1=CC=CC=C1C(C(=O)C2=CC=CC=C2C)O, CCC(C)COC(=O)C=C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7871fb4d-d5b3-427e-b480-ee64362482e9 2-methylbutyl acrylate

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=2-methylbutylacrylate||dimension=Environmental > media=Ground > geography=Agricultural; cas=44914-03-6; added Common Chemistry CAS names as altLabel: 2-Methylbutyl prop-2-enoate, 2-Propenoic acid, 2-methylbutyl ester; object_uuid=fo-b46b478084a12e74
cas_match_labels 1 — consensus_match group_key=2-methylbutylacrylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'44914-03-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b46b478084a12e74: {'44914-03-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Methylbutyl prop-2-enoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:44914-03-6', 'https://commonchemistry.cas.org/detail?cas_rn=44914-03-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Propenoic acid, 2-methylbutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:44914-03-6', 'https://commonchemistry.cas.org/detail?cas_rn=44914-03-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methylbutylacrylate||dimension=Environmental > media=Ground > geography=Agricultural; cas=44914-03-6; added Common Chemistry CAS names as altLabel: 2-Methylbutyl prop-2-enoate, 2-Propenoic acid, 2-methylbutyl ester; object_uuid=fo-b46b478084a12e74
cas_match_labels None {'44914-03-6': 'exactMatch'} group_key=2-methylbutylacrylate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'44914-03-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b46b478084a12e74: {'44914-03-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "7871fb4d-d5b3-427e-b480-ee64362482e9",
  "name": null,
  "cas_numbers": [
    "44914-03-6"
  ],
  "ec_numbers": [
    "256-170-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 147.84
    },
    {
      "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": 2.4812e-8
    },
    {
      "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": 2.4812e-8
    },
    {
      "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": 147.84
    }
  ],
  "source": "EF 3.1",
  "identifier": "7871fb4d-d5b3-427e-b480-ee64362482e9",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "7871fb4d-d5b3-427e-b480-ee64362482e9",
      "source_flow_name": "2-methylbutyl acrylate",
      "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 soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-methylbutyl Acrylate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-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": [
        "C16H16O2",
        "C8H14O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070",
          "CID:275146"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AISGCPJYLZUZOS-UHFFFAOYSA-N",
        "NCTBYWFEJFTVEL-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070",
          "CID:275146"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC=CC=C1C(C(=O)C2=CC=CC=C2C)O",
        "CCC(C)COC(=O)C=C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070",
          "CID:275146"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C16H16O2/c1-11-7-3-5-9-13(11)15(17)16(18)14-10-6-4-8-12(14)2/h3-10,15,17H,1-2H3",
        "InChI=1S/C8H14O2/c1-4-7(3)6-10-8(9)5-2/h5,7H,2,4,6H2,1,3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070",
          "CID:275146"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,2-bis(2-methylphenyl)-2-oxidanyl-ethanone",
        "2-hydroxy-1,2-bis(2-methylphenyl)ethanone",
        "2-hydroxy-1,2-bis(o-tolyl)ethanone",
        "2-methylbutyl prop-2-enoate",
        "2-propenoic acid 2-methylbutyl ester",
        "acrylic acid 2-methylbutyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070",
          "CID:275146"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.640I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:275146;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J319.935E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.051.047",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=44914-03-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70298230",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:275146;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8029367",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=121791",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:275146;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/797XM9SH6U",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162070",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[44914-03-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/275146",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:275146;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[44914-03-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27266729",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162070;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82039907",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:275146;CAS:44914-03-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[44914-03-6]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methylbutyl prop-2-enoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:44914-03-6",
          "https://commonchemistry.cas.org/detail?cas_rn=44914-03-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methylbutyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:44914-03-6",
          "https://commonchemistry.cas.org/detail?cas_rn=44914-03-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "44914-03-6": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:2d418c6c-604d-4284-9126-1077a50b9dcb",
  "is_replaced_by_uuid": "2d418c6c-604d-4284-9126-1077a50b9dcb",
  "flow_object_id": "fo-b46b478084a12e74"
}