Methylethylketone Peroxide Trimer
fo-367c9eb1ec18c0b5
Identity
- Type
- Neutral molecule
- CAS
- 24748-23-0
- EC
- 429-320-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-
- 3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane
- 3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxonane
- 3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxynonane
- Trigonox 301-10PP
- Trigonox 301-20PP-pd
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KVWLLOIEGKLBPA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H24O6/c1-7-10(4)13-15-11(5,8-2)17-18-12(6,9-3)16-14-10/h7-9H2,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl- |
| Molecular formula chemrof:molecular_formula | C12H24O6 |
| Molecular mass chemrof:molecular_mass | 264.318 |
| Monoisotopic mass chemrof:monoisotopic_mass | 264.157288 |
| SMILES string chemrof:smiles_string | CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1 |
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=24748-23-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.767 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.118.932 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3051913 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J3MV6AZN38 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.840.299H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2734078 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27281161 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2432b77-4b9a-4c0b-9477-f5c56d84f35b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 29dbfe6e-cae0-4779-902d-23fb43b07afe | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 31ea72ee-9e48-43bd-896c-95a647cbd095 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4024061d-6082-4813-971e-f618409dfb75 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f99fab42-79b7-4eb9-beed-bb7000ab0087 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fa9ca5ef-2000-491d-b6e0-b0528d817832 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 80002062-d88d-46c7-a803-446ff9bd868a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5cdc16c0-7928-4248-9ed2-7982cc0bfc40 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e838176a-5db0-4366-a16e-9ed5dbd3f2ce | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b360c369-f922-4b3a-8c5a-f6a0e987b8eb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| cd60c562-3f1a-4b30-9b52-83fc78a011a0 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 313b9b92-03aa-4de2-ae98-e128866ac1ea | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5df954c4-47d7-47a7-8620-43780a913501 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-367c9eb1ec18c0b5",
"prefLabel": [
{
"@value": "Methylethylketone Peroxide Trimer",
"@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": "1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24748-23-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24748-23-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxonane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24748-23-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,6,9-Triethyl-3,6,9-trimethyl-1,4,7-triperoxynonane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24748-23-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Trigonox 301-10PP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24748-23-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Trigonox 301-20PP-pd",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24748-23-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H24O6"
],
"attested_by": {
"C12H24O6": [
"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:2734078"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KVWLLOIEGKLBPA-UHFFFAOYSA-N"
],
"attested_by": {
"KVWLLOIEGKLBPA-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:2734078"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
]
}
],
"attested_by": {
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H24O6/c1-7-10(4)13-15-11(5,8-2)17-18-12(6,9-3)16-14-10/h7-9H2,1-6H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
]
}
],
"attested_by": {
"InChI=1S/C12H24O6/c1-7-10(4)13-15-11(5,8-2)17-18-12(6,9-3)16-14-10/h7-9H2,1-6H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-"
]
},
"attested_by": {
"1,2,4,5,7,8-Hexoxonane, 3,6,9-triethyl-3,6,9-trimethyl-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
264.318
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(OOC(OOC(OO1)(C)CC)(C)CC)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
]
}
],
"attested_by": {
"264.318": [
"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": [
264.157288
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(OOC(OOC(OO1)(C)CC)(C)CC)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC1(C)OOC(C)(CC)OOC(C)(CC)OO1"
]
}
],
"attested_by": {
"264.157288": [
"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=J1.840.299H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24748-23-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.102.767",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24748-23-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.118.932",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24748-23-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24748-23-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"24748-23-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3051913",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24748-23-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J3MV6AZN38",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24748-23-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2734078",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[24748-23-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27281161",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2734078;CAS:24748-23-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24748-23-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "29dbfe6e-cae0-4779-902d-23fb43b07afe",
"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": [
"24748-23-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24748-23-0"
}
],
"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": [
"429-320-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=429-320-2"
],
"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