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2-methylbutyl Acrylate

Flow Object IDfo-b46b478084a12e74
TypeConsensus
prefLabel
Label Language
2-methylbutyl Acrylate en
Alt Labels
Label Language Provenance
2-Methylbutyl prop-2-enoate en
2-Propenoic acid, 2-methylbutyl ester en
CAS Numbers44914-03-6
EC Numbers256-170-3
Changes Applied26

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

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
a960041e… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
2961ad89… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
74e5ccad… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
b7af0270… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
183d5087… EF 3.1 kg Environmental → Air → Unknown 4 2
3efc65aa… EF 3.1 kg Environmental → Air → Unknown 4 2
14207cde… EF 3.1 kg Environmental → Ground → Agricultural 4 2
2d418c6c… EF 3.1 kg Environmental → Ground → Unknown 4 2
2fc821ea… EF 3.1 kg Environmental → Water → Ocean 4 2
2bf63a8a… EF 3.1 kg Environmental → Water → Surface water 4 2
52e606e6… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
14207cde… 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"}}] 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
14207cde… cas_match_labels {"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'}
183d5087… 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"}}] 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
183d5087… cas_match_labels {"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'}
2961ad89… 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"}}] 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
2961ad89… cas_match_labels {"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'}
2bf63a8a… 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"}}] 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
2bf63a8a… cas_match_labels {"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'}
2d418c6c… 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"}}] 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
2d418c6c… cas_match_labels {"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'}
2fc821ea… 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"}}] 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
2fc821ea… cas_match_labels {"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'}
3efc65aa… 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"}}] 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
3efc65aa… cas_match_labels {"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'}
52e606e6… 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"}}] 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
52e606e6… cas_match_labels {"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'}
74e5ccad… 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"}}] 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
74e5ccad… cas_match_labels {"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'}
7871fb4d… 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"}}] 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
7871fb4d… cas_match_labels {"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'}
92eb5b4e… 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"}}] 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
92eb5b4e… cas_match_labels {"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'}
a960041e… 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"}}] 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
a960041e… cas_match_labels {"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'}
b7af0270… 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"}}] 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
b7af0270… cas_match_labels {"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'}

Flow Object JSON

{
  "flow_object_id": "fo-b46b478084a12e74",
  "prefLabel": [
    {
      "@value": "2-methylbutyl Acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methylbutyl prop-2-enoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-methylbutyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
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      "@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": [
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          "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": {
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    },
    "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": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    },
    "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": {
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        "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": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "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]"
      }
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