← Back to consensus flow objects
Cyclododecanone
| Flow Object ID | fo-e42119431fb75bc7 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 830-13-7 | ||||||
| EC Numbers | 212-595-6 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| Formal charge |
0
|
| InChIKey |
SXVPOSFURRDKBO-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
|
| IUPAC name |
cyclododecanone
|
| Molecular formula |
C12H22O
|
| Molecular mass |
182.307
|
| Monoisotopic mass |
182.16707
|
| SMILES |
C1CCCCCC(=O)CCCCC1, O=C1CCCCCCCCCCC1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.686A
- https://chem.echa.europa.eu/100.011.450
- https://commonchemistry.cas.org/detail?cas_rn=830-13-7
- https://comptox.epa.gov/dashboard/DTXSID3027322
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77116
- https://en.wikipedia.org/wiki/Cyclododecanone
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WL053118A9
- https://hmdb.ca/metabolites/HMDB0031341
- https://pubchem.ncbi.nlm.nih.gov/compound/13246
- https://www.chemspider.com/Chemical-Structure.12690.html
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:177614
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1883853
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44836
- https://www.wikidata.org/wiki/Q1147500
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
71a53711… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
9ab20349… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
252caaf1… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
8bf3ee92… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
1f3eba8b… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
61fa8f89… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
079bf308… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
01006122… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
59712bdd… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
85a03eb7… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
2dacef37… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
01006122… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
01006122… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
079bf308… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
079bf308… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
1b7aed2e… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
1b7aed2e… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
1f3eba8b… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
1f3eba8b… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
252caaf1… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
252caaf1… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
2dacef37… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
2dacef37… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
596eb98b… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
596eb98b… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
59712bdd… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
59712bdd… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
61fa8f89… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
61fa8f89… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
71a53711… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
71a53711… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
85a03eb7… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
85a03eb7… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
8bf3ee92… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
8bf3ee92… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
9ab20349… |
altLabel |
— |
[{"@value":"NSC 77116","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:830-13-7","https://commonchemistry.cas.org/detail?cas_rn=830-13-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; cas=830-13-7; added Common Chemistry CAS names as altLabel: NSC 77116; object_uuid=fo-e42119431fb75bc7 |
9ab20349… |
cas_match_labels |
— |
{"830-13-7":"exactMatch"} |
group_key=cyclododecanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'830-13-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e42119431fb75bc7: {'830-13-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e42119431fb75bc7",
"prefLabel": [
{
"@value": "Cyclododecanone",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "NSC 77116",
"@language": "en",
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],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
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"@value": [
"C12H22O"
],
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]
},
"https://w3id.org/chemrof/smiles_string": {
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"@value": [
"C1CCCCCC(=O)CCCCC1",
"O=C1CCCCCCCCCCC1"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
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"@value": [
"InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2"
],
"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SXVPOSFURRDKBO-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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"https://w3id.org/chemrof/molecular_mass": {
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"@value": [
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"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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"@value": [
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},
"https://w3id.org/chemrof/formal_charge": {
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"@value": [
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"rdfs:label": "IUPAC name",
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},
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