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2-Oxetanone, 3-C12-16-alkyl-4-C13-17-alkylidene derivs.

2D structure
Flow Object IDfo-61578bf88bdbf521
TypeConsensus
prefLabel
Label Language
2-Oxetanone, 3-C12-16-alkyl-4-C13-17-alkylidene derivs. en
Alt Labels
Label Language Provenance
(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one en —
2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs. en —
CAS Numbers 84989-41-3
EC Numbers 284-932-5
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0add0bb1-0f25-451a-bd95-63fa157e6441

Properties

Predicate Value
InChIKey BKSVJFGDPOUPBY-YCNYHXFESA-N
InChI InChI=1S/C32H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30(32(33)34-31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3/b31-29-
IUPAC name (4Z)-3-myristyl-4-pentadecylidene-oxetan-2-one, (4Z)-4-pentadecylidene-3-tetradecyl-2-oxetanone, (4Z)-4-pentadecylidene-3-tetradecyl-oxetan-2-one, (4Z)-4-pentadecylidene-3-tetradecyloxetan-2-one
Molecular formula C32H60O2
Molecular mass 476.83
Monoisotopic mass 476.459331
SMILES CCCCCCCCCCCCCC/C=C1\OC(=O)C1CCCCCCCCCCCCCC, CCCCCCCCCCCCCC/C=C\1/C(C(=O)O1)CCCCCCCCCCCCCC, CCCCCCCCCCCCCCC=C1C(C(=O)O1)CCCCCCCCCCCCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d6d37327… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
fdda6c4c… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
1c32332a… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
7d3ddfde… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
5d8e7b83… EF 3.1 kg Environmental → Air → Unknown 4 2
bbe06258… EF 3.1 kg Environmental → Air → Unknown 4 2
95af1edd… EF 3.1 kg Environmental → Ground → Agricultural 4 2
44751019… EF 3.1 kg Environmental → Ground → Unknown 4 2
0add0bb1… EF 3.1 kg Environmental → Water → Ocean 4 2
d371a81f… EF 3.1 kg Environmental → Water → Surface water 4 2
94097448… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0add0bb1… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
0add0bb1… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
1c32332a… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
1c32332a… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
44751019… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
44751019… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
5d8e7b83… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
5d8e7b83… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
78c57d1c… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
78c57d1c… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
7d3ddfde… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
7d3ddfde… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
94097448… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
94097448… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
95af1edd… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
95af1edd… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
b2a6f3a3… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
b2a6f3a3… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
bbe06258… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
bbe06258… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
d371a81f… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
d371a81f… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
d6d37327… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
d6d37327… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}
fdda6c4c… altLabel — [{"@value":"2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:84989-41-3","https://commonchemistry.cas.org/detail?cas_rn=84989-41-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=84989-41-3; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3-C<sub>12-16</sub>-alkyl-4-C<sub>13-17</sub>-alkylidene derivs.; object_uuid=fo-61578bf88bdbf521
fdda6c4c… cas_match_labels — {"84989-41-3":"exactMatch"} group_key=(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'84989-41-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-61578bf88bdbf521: {'84989-41-3': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-61578bf88bdbf521",
  "prefLabel": [
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      "@value": "2-Oxetanone, 3-C12-16-alkyl-4-C13-17-alkylidene derivs.",
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      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "prefLabel"
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  ],
  "altLabel": [
    {
      "@value": "(4e)-4-(c13-c17)alkylidene-3-(c12-c16)alkyloxetan-2-one",
      "@language": "en",
      "@lang": "en",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C32H60O2"
      ],
      "rdfs:label": "Molecular formula",
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        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCC/C=C1\\OC(=O)C1CCCCCCCCCCCCCC"
          ]
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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      "@value": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C32H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30(32(33)34-31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3/b31-29-"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
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