← Back to consensus flow objects
Sulfonic Acids, C10-c21-alkane, Ph-esters
| Flow Object ID | fo-e2b9588a498bb9e1 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 91082-17-6 | ||||
| EC Numbers | 293-728-5 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
UDKSLGIUCGAZTK-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
|
| IUPAC name |
1-pentadecanesulfonic acid, pentadecane-1-sulfonic acid phenyl ester, phenyl pentadecane-1-sulfonate
|
| Molecular formula |
C21H36O3S
|
| SMILES |
CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.624C
- https://chem.echa.europa.eu/100.085.174
- https://commonchemistry.cas.org/detail?cas_rn=91082-17-6
- https://comptox.epa.gov/dashboard/DTXSID00274002
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q4FQ4SJ6CW
- https://pubchem.ncbi.nlm.nih.gov/compound/20478723
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188793
- https://www.wikidata.org/wiki/Q81977412
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
a4492034… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
2ee48651… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
4ac74b25… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
f547c0ac… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
01b68c01… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
f798e431… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
91b0146f… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
20eee544… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
5c33b33d… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
c54e86d0… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
506207bf… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
01b68c01… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
20eee544… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
2ee48651… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
4ac74b25… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
506207bf… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
5c33b33d… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
5e40d74d… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
91b0146f… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
a4492034… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
c54e86d0… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
e366fd66… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
f547c0ac… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
f798e431… |
cas_match_labels |
— |
{"91082-17-6":"exactMatch"} |
group_key=sulfonicacids,c10-c21-alkane,ph-esters||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'91082-17-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e2b9588a498bb9e1: {'91082-17-6': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e2b9588a498bb9e1",
"prefLabel": [
{
"@value": "Sulfonic Acids, C10-c21-alkane, Ph-esters",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H36O3S"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"prov:hadPrimarySource": [
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UDKSLGIUCGAZTK-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1"
],
"rdfs:label": "SMILES",
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(22,23)24-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3"
],
"rdfs:label": "InChI",
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"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1-pentadecanesulfonic acid",
"pentadecane-1-sulfonic acid phenyl ester",
"phenyl pentadecane-1-sulfonate"
],
"rdfs:label": "IUPAC name",
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],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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{
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01b68c01-c347-453f-af77-90f2d54e2a93",
"seed_source": "EF 3.1"
},
"classifications": {
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"@value": [
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],
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],
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},
"origin_qualifier": null,
"parent_flow_object_id": null
}