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Benzenesulfonic acid, dodecyl ester
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 05808f69-ef78-466e-92c4-200e8526b72b |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
YRIUSKIDOIARQF-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
|
| IUPAC name |
benzenesulfonic acid dodecyl ester, benzenesulfonic acid lauryl ester, dodecyl benzenesulfonate
|
| Molecular formula |
C18H30O3S
|
| Molecular mass |
326.502
|
| Monoisotopic mass |
326.191566
|
| SMILES |
CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1, CCCCCCCCCCCCOS(=O)(=O)c1ccccc1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J152.195K
- https://chem.echa.europa.eu/100.015.960
- https://commonchemistry.cas.org/detail?cas_rn=1330-69-4
- https://commonchemistry.cas.org/detail?cas_rn=1886-81-3
- https://comptox.epa.gov/dashboard/DTXSID30153351
- https://hmdb.ca/metabolites/HMDB0251568
- https://pubchem.ncbi.nlm.nih.gov/compound/15900
- https://www.wikidata.org/wiki/Q83020217
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
bf285c3a… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
2b328a38… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
bb5d4157… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
149b21ec… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
6603d4f6… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
6ad5e5b7… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
a520a04b… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
24400e77… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
8be85d6d… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
9ae978f7… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
05808f69… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
05808f69… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
05808f69… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
149b21ec… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
149b21ec… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
24400e77… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
24400e77… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
2b328a38… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
2b328a38… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
6603d4f6… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
6603d4f6… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
6ad5e5b7… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
6ad5e5b7… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
72f889c1… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
72f889c1… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
8be85d6d… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
8be85d6d… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
9ae978f7… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
9ae978f7… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
a520a04b… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
a520a04b… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
bb5d4157… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
bb5d4157… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
bf285c3a… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
bf285c3a… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
f536d1a0… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, dodecyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1886-81-3","https://commonchemistry.cas.org/detail?cas_rn=1886-81-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=1886-81-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, dodecyl ester; object_uuid=fo-5ee313f291eb284a |
f536d1a0… |
cas_match_labels |
— |
{"1886-81-3":"exactMatch"} |
group_key=dodecylbenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1886-81-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5ee313f291eb284a: {'1886-81-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-5ee313f291eb284a",
"prefLabel": [
{
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"@language": "en",
"@lang": "en",
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"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Dodecyl Benzenesulphonate",
"@language": "en",
"@lang": "en",
"provenance": {
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],
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}
}
],
"properties": {
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],
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{
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"prov:hadPrimarySource": [
"CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1"
]
}
]
},
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},
"https://w3id.org/chemrof/smiles_string": {
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"https://w3id.org/chemrof/inchi2d_string": {
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},
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"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
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"rdfs:label": "Monoisotopic mass",
"@value": [
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],
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},
"references": [
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{
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{
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