1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene
fo-5cc4131608bba871
Identity
- Type
- Neutral molecule
- CAS
- 2781-00-2
- EC
- 220-479-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
![Structure diagram for 1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene](/flow-objects/fo-5cc4131608bba871/structure.svg)
Alternative labels
20- 1,1′-[1,4-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]
- 1,4-Bis(1-tert-butyldioxy-1-methylethyl)benzene
- 1,4-Bis(2-(tert-butylperoxy)propan-2-yl)benzene
- 1,4-Bis(2-tert-butylperoxyisopropyl)benzene
- 1,4-Bis[2-(tert-butylperoxy)-2-propyl]benzene
- 1,4-Bis[α-(tert-butyldioxy)isopropyl]benzene
- 1,4-Di(2-tert-butylperoxyisopropyl)benzene
- Diperoksin 40
- Elastoflux EF
- Interox DIPP 2
- Perkadox 64
- Perkadox U 14/40
- Peroxide, (p-phenylenediisopropylidene)bis[tert-butyl
- Peroxide, 1,1′-[1,4-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)
- Peroxide, [1,4-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl)
- Peroximon F 100
- Varox 802-40C
- α,α′-Bis(tert-butyldioxy)-p-diisopropylbenzene
- α,α′-Bis(tert-butylperoxy)-1,4-diisopropylbenzene
- α,α′-Bis(tert-butylperoxy)-p-diisopropylbenzene
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GWQOYRSARAWVTC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3 |
| IUPAC name chemrof:IUPAC_name | 1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene |
| Molecular formula chemrof:molecular_formula | C20H34O4 |
| Molecular mass chemrof:molecular_mass | 338.488 |
| Monoisotopic mass chemrof:monoisotopic_mass | 338.24571 |
| SMILES string chemrof:smiles_string | CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1 |
Known URLs
8Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2781-00-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.618 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60881110 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185297 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/431KDL2BJM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J155.572C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17721 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27258595 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0de61ac7-c121-473d-b9a1-8281f84a9ec8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 9a6e3694-b79b-49c7-9e94-314429dc0d4b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a4952d3f-d539-45eb-a7cc-54a08e02a394 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| bdd6cdcb-86cc-496a-b759-76f04791403e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f286d725-fd24-4414-ba3d-e937133bbaab | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 97f58ece-1a42-448e-adf0-08214ed3e053 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 85e2e77d-be31-4941-a4f2-f0b2e21bc9f6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b94d0a35-19e3-4dde-ba96-ed5d93502d9f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 570d0414-34ef-417b-8d92-0317abaeb588 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| cc97dff7-9bf1-4b9e-9993-45652c2eb95f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5e4f106a-05d3-4485-8eb6-a1614edf3a2c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 06f0bce3-83c5-4420-85ae-f9a68085158f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 21832d85-01be-461e-af47-cb73a6c2da9f | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-5cc4131608bba871",
"prefLabel": [
{
"@value": "1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,1′-[1,4-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Bis(1-tert-butyldioxy-1-methylethyl)benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Bis(2-(tert-butylperoxy)propan-2-yl)benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Bis(2-tert-butylperoxyisopropyl)benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Bis[2-(tert-butylperoxy)-2-propyl]benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Bis[α-(tert-butyldioxy)isopropyl]benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,4-Di(2-tert-butylperoxyisopropyl)benzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diperoksin 40",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Elastoflux EF",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Interox DIPP 2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Perkadox 64",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Perkadox U 14/40",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Peroxide, (p-phenylenediisopropylidene)bis[tert-butyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Peroxide, 1,1′-[1,4-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Peroxide, [1,4-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Peroximon F 100",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Varox 802-40C",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,α′-Bis(tert-butyldioxy)-p-diisopropylbenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,α′-Bis(tert-butylperoxy)-1,4-diisopropylbenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,α′-Bis(tert-butylperoxy)-p-diisopropylbenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2781-00-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C20H34O4"
],
"attested_by": {
"C20H34O4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GWQOYRSARAWVTC-UHFFFAOYSA-N"
],
"attested_by": {
"GWQOYRSARAWVTC-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
]
}
],
"attested_by": {
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
]
}
],
"attested_by": {
"InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene"
]
},
"attested_by": {
"1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
338.488
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
]
}
],
"attested_by": {
"338.488": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
338.24571
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1"
]
}
],
"attested_by": {
"338.24571": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J155.572C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2781-00-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.018.618",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2781-00-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2781-00-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2781-00-2"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60881110",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2781-00-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/431KDL2BJM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2781-00-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/17721",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2781-00-2]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185297",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2781-00-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27258595",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17721;CAS:2781-00-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2781-00-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06f0bce3-83c5-4420-85ae-f9a68085158f",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2781-00-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2781-00-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"220-479-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=220-479-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works