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1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate

Flow Object IDfo-5371f372c891374a
TypeConsensus
prefLabel
Label Language
1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate en
Alt Labels
Label Language Provenance
1,2-benzenedicarboxylic Acid, Benzyl C7-9-branched And Linear Alkyl Esters en —
1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters en —
CAS Numbers68515-40-2
EC Numbers271-082-5
Changes Applied26

Properties

Predicate Value
InChIKey WHHSHXMIKFVAEK-UHFFFAOYSA-N
InChI InChI=1S/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3
IUPAC name 2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate, O1-octyl O2-(phenylmethyl) benzene-1,2-dicarboxylate, O2-benzyl O1-octyl benzene-1,2-dicarboxylate, benzene-1,2-dicarboxylic acid O1-octyl ester O2-(phenylmethyl) ester, benzene-1,2-dicarboxylic acid O2-benzyl ester O1-octyl ester
Molecular formula C23H28O4
SMILES CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
83fd43bc… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
be08857e… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
b836af2b… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
d7108549… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
b8be5cf9… EF 3.1 kg Environmental → Air → Unknown 4 2
c39b8ce4… EF 3.1 kg Environmental → Air → Unknown 4 2
d532f890… EF 3.1 kg Environmental → Ground → Agricultural 4 2
610ecedc… EF 3.1 kg Environmental → Ground → Unknown 4 2
fc848dab… EF 3.1 kg Environmental → Water → Ocean 4 2
d1c9febb… EF 3.1 kg Environmental → Water → Surface water 4 2
d7b07a65… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
610ecedc… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
610ecedc… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
81e1b278… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
81e1b278… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
83fd43bc… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
83fd43bc… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
8d4882c0… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
8d4882c0… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
b836af2b… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
b836af2b… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
b8be5cf9… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
b8be5cf9… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
be08857e… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
be08857e… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
c39b8ce4… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
c39b8ce4… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
d1c9febb… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
d1c9febb… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
d532f890… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
d532f890… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
d7108549… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
d7108549… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
d7b07a65… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
d7b07a65… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}
fc848dab… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-40-2","https://commonchemistry.cas.org/detail?cas_rn=68515-40-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-40-2; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters; object_uuid=fo-5371f372c891374a
fc848dab… cas_match_labels — {"68515-40-2":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,benzylc7-9-branchedandlinearalkylesters||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-40-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5371f372c891374a: {'68515-40-2': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-5371f372c891374a",
  "prefLabel": [
    {
      "@value": "1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate",
      "@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": "1,2-benzenedicarboxylic Acid, Benzyl C7-9-branched And Linear Alkyl Esters",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, benzyl C<sub>7-9</sub>-branched and linear alkyl esters",
      "@language": "en",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C23H28O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "WHHSHXMIKFVAEK-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3"
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-O-benzyl 1-O-octyl benzene-1,2-dicarboxylate",
        "O1-octyl O2-(phenylmethyl) benzene-1,2-dicarboxylate",
        "O2-benzyl O1-octyl benzene-1,2-dicarboxylate",
        "benzene-1,2-dicarboxylic acid O1-octyl ester O2-(phenylmethyl) ester",
        "benzene-1,2-dicarboxylic acid O2-benzyl ester O1-octyl ester"
      ],
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  },
  "references": [
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