2,6-dimethylheptan-4-one
58f5d578f7e09602853eca73e1749be064314136
Identity
- Substance
- fo-72e838e06dd00fab NeutralMolecule
- Source
- ecoinvent algorithm addition
- Unit
- kg
- Context
- Environmental → Water → Unconfined aquifer
- CAS
- 108-83-8
- EC
- 203-620-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unconfined aquifer
Alternative labels
8- 2,6-Dimethyl-4-heptanone
- 4-Heptanone, 2,6-dimethyl-
- DIBC
- DIBK
- Diisobutyl ketone
- Isobutyl ketone
- Isovalerone
- s-Diisopropylacetone
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| ecoinvent | 3.12 | 7d58b774-db61-4a8f-9072-d051c494a64f | Diisobutyl Ketone | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this substance, which had no flow in this compartment, so this flow was created for the row. |
| ecoinvent | 3.8 | 7d58b774-db61-4a8f-9072-d051c494a64f | Diisobutyl Ketone | A curator's mapping table (ecoinvent-3.8-biosphere-EF-3.1-biosphere.json) names this flow. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| ecoinvent 3.12 | 7d58b774-db61-4a8f-9072-d051c494a64f | Diisobutyl Ketone | water / ground- | exactMatch | — |
| ecoinvent 3.8 | 7d58b774-db61-4a8f-9072-d051c494a64f | Diisobutyl Ketone | water / ground- | exactMatch | — |
Characterisation factors
4- ecoinvent Centre 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 293.47 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 293.47 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer | — | 2.1997e-09 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer_organics | — | 2.1997e-09 | — |
History
The change log and the PROV-O trail (0 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "2,6-Dimethyl-4-heptanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Heptanone, 2,6-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DIBC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DIBK",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisobutyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isobutyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isovalerone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "s-Diisopropylacetone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:108-83-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=108-83-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C9H18O"
],
"attested_by": {
"C9H18O": [
"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:7958"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PTTPXKJBFFKCEK-UHFFFAOYSA-N"
],
"attested_by": {
"PTTPXKJBFFKCEK-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:7958"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)CC(=O)CC(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,6-dimethylheptan-4-one"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
}
],
"attested_by": {
"CC(C)CC(=O)CC(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,6-dimethylheptan-4-one"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
}
],
"attested_by": {
"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,6-dimethylheptan-4-one"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,6-dimethylheptan-4-one"
]
},
"attested_by": {
"2,6-dimethylheptan-4-one": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
142.242
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
}
],
"attested_by": {
"142.242": [
"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": [
142.135765
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(=O)CC(C)C"
]
}
],
"attested_by": {
"142.135765": [
"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=J5.081D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.003.292",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0713",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=108-83-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"108-83-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4025080",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15136",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406913",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V52W30H1BU",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0031417",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7958",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[108-83-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1157",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://www.cdc.gov/niosh-rtecs/MJ581E98.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89195",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182186",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://www.femaflavor.org/flavor-library/26-dimethyl-4-heptanone",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44867",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q2416556",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7958;CAS:108-83-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[108-83-8]"
}
}
],
"prefLabel": [
{
"@value": "2,6-dimethylheptan-4-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "58f5d578f7e09602853eca73e1749be064314136",
"identifier": "",
"name": "2,6-dimethylheptan-4-one",
"source": "ecoinvent algorithm addition",
"cas_numbers": [
"108-83-8"
],
"ec_numbers": [
"203-620-1"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unconfined aquifer"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-72e838e06dd00fab",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/7d58b774-db61-4a8f-9072-d051c494a64f",
"skos:prefLabel": "Diisobutyl Ketone",
"context": "water / ground-",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/58f5d578f7e09602853eca73e1749be064314136"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/58f5d578f7e09602853eca73e1749be064314136"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:7d58b774-db61-4a8f-9072-d051c494a64f",
"Diisobutyl Ketone",
"ecoinvent-3.11-biosphere-EF-3.1-biosphere"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.8/flow/7d58b774-db61-4a8f-9072-d051c494a64f",
"skos:prefLabel": "Diisobutyl Ketone",
"context": "water / ground-",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/58f5d578f7e09602853eca73e1749be064314136"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/58f5d578f7e09602853eca73e1749be064314136"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.8:7d58b774-db61-4a8f-9072-d051c494a64f",
"Diisobutyl Ketone",
"ecoinvent-3.8-biosphere-EF-3.1-biosphere.json"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
}
],
"_sources": {},
"cas_match_labels": {},
"general_comment": "",
"_transformed": false,
"_provided": {
"name": null,
"synonyms": [],
"context": [],
"cas_numbers": [],
"ec_numbers": [],
"unit": null
},
"elementary_flow_id": "58f5d578f7e09602853eca73e1749be064314136"
}