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Menthane, Monohydroperoxy Derivative

Flow Object IDfo-f92412c64087bdbe
TypeConsensus
prefLabel
Label Language
Menthane, Monohydroperoxy Derivative en
Alt Labels
Label Language Provenance
<em>p</em>-Menthyl hydroperoxide en
Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv. en
CAS Numbers26762-92-5
EC Numbers247-987-6
Changes Applied26

Properties

Predicate Value
InChIKey OZTWDFWAMMUDHQ-GUBZILKMSA-N, OZTWDFWAMMUDHQ-UHFFFAOYSA-N
InChI InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3, InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
IUPAC name (1S,2S,4S)-2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane, (1S,2S,4S)-2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane, (1S,2S,4S)-2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane, 2-(dioxidanyl)-4-methyl-1-propan-2-yl-cyclohexane, 2-hydroperoxy-1-isopropyl-4-methyl-cyclohexane, 2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
Molecular formula C10H20O2
SMILES CC1CCC(C(C1)OO)C(C)C, C[C@H]1CC[C@H]([C@H](C1)OO)C(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
4b8417be… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
db22b2c4… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
f5fd7962… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
e49fefe6… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
0247e4c9… EF 3.1 kg Environmental → Air → Unknown 2 2
b6f8c47d… EF 3.1 kg Environmental → Air → Unknown 2 2
5e234517… EF 3.1 kg Environmental → Ground → Agricultural 2 2
1fcfbf54… EF 3.1 kg Environmental → Ground → Unknown 2 2
53af0c35… EF 3.1 kg Environmental → Water → Ocean 2 2
0d3ac58d… EF 3.1 kg Environmental → Water → Surface water 2 2
d7ea8231… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
0247e4c9… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
0247e4c9… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
0d3ac58d… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
0d3ac58d… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
1fcfbf54… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
1fcfbf54… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
2d5529ab… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
2d5529ab… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
4b8417be… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
4b8417be… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
53af0c35… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
53af0c35… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
5e234517… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
5e234517… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
b6f8c47d… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
b6f8c47d… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
d7ea8231… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
d7ea8231… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
db22b2c4… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
db22b2c4… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
e49fefe6… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
e49fefe6… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
efeb3008… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
efeb3008… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}
f5fd7962… altLabel [{"@value":"<em>p</em>-Menthyl hydroperoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26762-92-5","https://commonchemistry.cas.org/detail?cas_rn=26762-92-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; cas=26762-92-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Menthyl hydroperoxide, Cyclohexane, 1-methyl-4-(1-methylethyl)-, monohydroperoxy deriv.; object_uuid=fo-f92412c64087bdbe
f5fd7962… cas_match_labels {"26762-92-5":"exactMatch"} group_key=menthane,monohydroperoxyderivative||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26762-92-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f92412c64087bdbe: {'26762-92-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-f92412c64087bdbe",
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      "@value": "Menthane, Monohydroperoxy Derivative",
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    {
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      "@language": "en",
      "@lang": "en",
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  "properties": {
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      "@value": [
        "C10H20O2"
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "OZTWDFWAMMUDHQ-GUBZILKMSA-N",
        "OZTWDFWAMMUDHQ-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1CCC(C(C1)OO)C(C)C",
        "C[C@H]1CC[C@H]([C@H](C1)OO)C(C)C"
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
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        "InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1"
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