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Benzoic Acid, C9-11 , C10-rich, Branched Alkyl Esters

Flow Object IDfo-569e4adf1e5efd29
TypeConsensus
prefLabel
Label Language
Benzoic Acid, C9-11 , C10-rich, Branched Alkyl Esters en
Alt Labels
Label Language Provenance
Benzoic acid, C<sub>9-11</sub>-branched alkyl esters en —
CAS Numbers131298-44-7
EC Numbers421-090-1
Changes Applied26

Properties

Predicate Value
InChIKey CUSUFTNOPPMGBK-UHFFFAOYSA-N, HNDYULRADYGBDU-UHFFFAOYSA-N, INYPVYFDXIKGBI-CQSZACIVSA-N, INYPVYFDXIKGBI-UHFFFAOYSA-N
InChI InChI=1S/C16H24O2/c1-4-14(11-10-13(2)3)12-18-16(17)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3, InChI=1S/C16H24O2/c1-4-14(11-10-13(2)3)12-18-16(17)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3/t14-/m1/s1, InChI=1S/C17H26O2/c1-15(2)11-7-4-3-5-10-14-19-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3, InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
IUPAC name (2-ethyl-5-methyl-hexyl) benzoate, (2-ethyl-5-methylhexyl) benzoate, 8-methylnonyl benzoate, [(2R)-2-ethyl-5-methyl-hexyl] benzoate, [(2R)-2-ethyl-5-methylhexyl] benzoate, benzoic acid (2-ethyl-5-methyl-hexyl) ester, benzoic acid (2-ethyl-5-methylhexyl) ester, benzoic acid 8-methylnonyl ester, benzoic acid [(2R)-2-ethyl-5-methyl-hexyl] ester, benzoic acid [(2R)-2-ethyl-5-methylhexyl] ester, benzoic acid decyl ester, decyl benzoate
Molecular formula C16H24O2, C17H26O2
SMILES CC(C)CCCCCCCOC(=O)C1=CC=CC=C1, CCC(CCC(C)C)COC(=O)C1=CC=CC=C1, CCCCCCCCCCOC(=O)C1=CC=CC=C1, CC[C@H](CCC(C)C)COC(=O)C1=CC=CC=C1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
7a508ce2… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
4712a8eb… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
82a8e56c… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
7755a48d… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
03921a4a… EF 3.1 kg Environmental → Air → Unknown 4 2
2e300df9… EF 3.1 kg Environmental → Air → Unknown 4 2
a19c6878… EF 3.1 kg Environmental → Ground → Agricultural 4 2
52f8d870… EF 3.1 kg Environmental → Ground → Unknown 4 2
508bb940… EF 3.1 kg Environmental → Water → Ocean 4 2
5d553907… EF 3.1 kg Environmental → Water → Surface water 4 2
f1d24c9b… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
03921a4a… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
03921a4a… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
2e300df9… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
2e300df9… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
4712a8eb… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
4712a8eb… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
508bb940… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
508bb940… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
52f8d870… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
52f8d870… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
5d553907… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
5d553907… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
6cdc93e9… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
6cdc93e9… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
7436c02d… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
7436c02d… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
7755a48d… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
7755a48d… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
7a508ce2… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
7a508ce2… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
82a8e56c… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
82a8e56c… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
a19c6878… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
a19c6878… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}
f1d24c9b… altLabel — [{"@value":"Benzoic acid, C<sub>9-11</sub>-branched alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:131298-44-7","https://commonchemistry.cas.org/detail?cas_rn=131298-44-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; cas=131298-44-7; added Common Chemistry CAS names as altLabel: Benzoic acid, C<sub>9-11</sub>-branched alkyl esters; object_uuid=fo-569e4adf1e5efd29
f1d24c9b… cas_match_labels — {"131298-44-7":"exactMatch"} group_key=benzoicacid,c9-11,c10-rich,branchedalkylesters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'131298-44-7': []}; assigned CAS labels from group consensus; object_uuid=fo-569e4adf1e5efd29: {'131298-44-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-569e4adf1e5efd29",
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      "@value": "Benzoic Acid, C9-11 , C10-rich, Branched Alkyl Esters",
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  "properties": {
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      "@value": [
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        "C17H26O2"
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        "HNDYULRADYGBDU-UHFFFAOYSA-N",
        "INYPVYFDXIKGBI-CQSZACIVSA-N",
        "INYPVYFDXIKGBI-UHFFFAOYSA-N"
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      "@value": [
        "CC(C)CCCCCCCOC(=O)C1=CC=CC=C1",
        "CCC(CCC(C)C)COC(=O)C1=CC=CC=C1",
        "CCCCCCCCCCOC(=O)C1=CC=CC=C1",
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      "@value": [
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        "InChI=1S/C17H26O2/c1-15(2)11-7-4-3-5-10-14-19-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3",
        "InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "(2-ethyl-5-methylhexyl) benzoate",
        "8-methylnonyl benzoate",
        "[(2R)-2-ethyl-5-methyl-hexyl] benzoate",
        "[(2R)-2-ethyl-5-methylhexyl] benzoate",
        "benzoic acid (2-ethyl-5-methyl-hexyl) ester",
        "benzoic acid (2-ethyl-5-methylhexyl) ester",
        "benzoic acid 8-methylnonyl ester",
        "benzoic acid [(2R)-2-ethyl-5-methyl-hexyl] ester",
        "benzoic acid [(2R)-2-ethyl-5-methylhexyl] ester",
        "benzoic acid decyl ester",
        "decyl benzoate"
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
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