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1-(2-ethylbutyl)cyclohexanecarbonitrile

2D structure
Flow Object IDfo-b9c50ad2c8e32495
TypeConsensus
prefLabel
Label Language
1-(2-ethylbutyl)cyclohexanecarbonitrile en
Alt Labels
Label Language Provenance
Cyclohexanecarbonitrile, 1-(2-ethylbutyl)- en —
CAS Numbers 855425-38-6
EC Numbers 619-573-9
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow23b9a59b-2906-44a7-9c23-4fbd7a2c529b

Properties

Predicate Value
InChIKey DRMOLJPDSCAGCC-UHFFFAOYSA-N
InChI InChI=1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3
IUPAC name 1-(2-ethylbutyl)-1-cyclohexanecarbonitrile, 1-(2-ethylbutyl)cyclohexane-1-carbonitrile, 1-(2-ethylbutyl)cyclohexanecarbonitrile
Molecular formula C13H23N
Molecular mass 193.334
Monoisotopic mass 193.18305
SMILES CCC(CC)CC1(C#N)CCCCC1, CCC(CC)CC1(CCCCC1)C#N

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
f8a5ba3c… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
2a686cba… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
2daf1901… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
3c520624… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
23b9a59b… EF 3.1 kg Environmental → Air → Unknown 2 2
ce26aa3d… EF 3.1 kg Environmental → Air → Unknown 2 2
65813c12… EF 3.1 kg Environmental → Ground → Agricultural 2 2
2e083ac6… EF 3.1 kg Environmental → Ground → Unknown 2 2
eff3462b… EF 3.1 kg Environmental → Water → Ocean 2 2
56ef114e… EF 3.1 kg Environmental → Water → Surface water 2 2
ce7641d5… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
23b9a59b… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
23b9a59b… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
2a686cba… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
2a686cba… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
2daf1901… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
2daf1901… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
2e083ac6… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
2e083ac6… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
35d41b16… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
35d41b16… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
3c520624… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
3c520624… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
56ef114e… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
56ef114e… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
65813c12… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
65813c12… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
a62f270d… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
a62f270d… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
ce26aa3d… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
ce26aa3d… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
ce7641d5… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
ce7641d5… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
eff3462b… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
eff3462b… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}
f8a5ba3c… altLabel — [{"@value":"Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:855425-38-6","https://commonchemistry.cas.org/detail?cas_rn=855425-38-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=855425-38-6; added Common Chemistry CAS names as altLabel: Cyclohexanecarbonitrile, 1-(2-ethylbutyl)-; object_uuid=fo-b9c50ad2c8e32495
f8a5ba3c… cas_match_labels — {"855425-38-6":"exactMatch"} group_key=1-(2-ethylbutyl)cyclohexanecarbonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'855425-38-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b9c50ad2c8e32495: {'855425-38-6': 'exactMatch'}

Flow Object JSON

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  "altLabel": [
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  "properties": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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