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Phenol, Para Alkylation Products With C12-rich Branched Olefins From Propene Oligomerisation
| Flow Object ID | fo-f2c6feb56e222ca7 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
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| CAS Numbers |
121158-58-5
|
||||||
| EC Numbers |
310-154-3
|
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| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 07211ea2-0835-4398-8f0c-de4648da57c7 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
AOOKHLGAVNECET-UHFFFAOYSA-N, WEZUGDVLPDQHJW-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3, InChI=1S/C18H30O/c1-3-5-7-9-16(10-8-6-4-2)15-17-11-13-18(19)14-12-17/h11-14,16,19H,3-10,15H2,1-2H3
|
| IUPAC name |
4-(2-amylheptyl)phenol, 4-(2-pentylheptyl)phenol, 4-(3,4,5-trimethylheptyl)phenol
|
| Molecular formula |
C16H26O, C18H30O
|
| Molecular mass |
234.383
|
| Monoisotopic mass |
234.198365
|
| SMILES |
CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O, CCC(C)C(C)C(C)CCc1ccc(O)cc1, CCCCCC(CCCCC)CC1=CC=C(C=C1)O
|
References
- https://chem.echa.europa.eu/100.100.072
- https://commonchemistry.cas.org/detail?cas_rn=121158-58-5
- https://comptox.epa.gov/dashboard/DTXSID70880593
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1UQ39J30H0
- https://pubchem.ncbi.nlm.nih.gov/compound/22833469
- https://pubchem.ncbi.nlm.nih.gov/compound/66866822
- https://www.wikidata.org/wiki/Q27252914
- https://www.wikidata.org/wiki/Q81986877
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3769599f… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
e0022f0a… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
62d07e03… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
5774c540… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
2bf08c9f… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
b753b8a8… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
223b40fc… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
07211ea2… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
8599b44c… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
cffffb70… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
e0b52818… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
07211ea2… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
07211ea2… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
223b40fc… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
223b40fc… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
2bf08c9f… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
2bf08c9f… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
3769599f… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
3769599f… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
45d84d82… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
45d84d82… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
5774c540… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
5774c540… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
62d07e03… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
62d07e03… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
8599b44c… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
8599b44c… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
b753b8a8… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
b753b8a8… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
cffffb70… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
cffffb70… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
e0022f0a… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
e0022f0a… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
e0b52818… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
e0b52818… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
f9e7ef5a… |
altLabel |
— |
[{"@value":"Phenol, dodecyl-, branched","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:121158-58-5","https://commonchemistry.cas.org/detail?cas_rn=121158-58-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; cas=121158-58-5; added Common Chemistry CAS names as altLabel: Phenol, dodecyl-, branched; object_uuid=fo-f2c6feb56e222ca7 |
f9e7ef5a… |
cas_match_labels |
— |
{"121158-58-5":"exactMatch"} |
group_key=phenol,paraalkylationproductswithc12-richbranchedolefinsfrompropeneoligomerisation||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'121158-58-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-f2c6feb56e222ca7: {'121158-58-5': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-f2c6feb56e222ca7",
"prefLabel": [
{
"@value": "Phenol, Para Alkylation Products With C12-rich Branched Olefins From Propene Oligomerisation",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Phenol, dodecyl-, branched",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H26O",
"C18H30O"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:22833469",
"CID:66866822"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"AOOKHLGAVNECET-UHFFFAOYSA-N",
"WEZUGDVLPDQHJW-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:22833469",
"CID:66866822"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O",
"CCC(C)C(C)C(C)CCc1ccc(O)cc1",
"CCCCCC(CCCCC)CC1=CC=C(C=C1)O"
],
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:22833469",
"CID:66866822"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3",
"InChI=1S/C18H30O/c1-3-5-7-9-16(10-8-6-4-2)15-17-11-13-18(19)14-12-17/h11-14,16,19H,3-10,15H2,1-2H3"
],
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:22833469",
"CID:66866822"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"4-(2-amylheptyl)phenol",
"4-(2-pentylheptyl)phenol",
"4-(3,4,5-trimethylheptyl)phenol"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:22833469",
"CID:66866822"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
"234.383"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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