2-methylpentane
f2148702-6555-11dd-ad8b-0800200c9a66
Identity
- Substance
- fo-bcfee7fb80a369b0 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 107-83-5
- EC
- 203-523-4
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
6- 1,1-Dimethylbutane
- 2-Methylpentan
- Isohexane
- Kyowasol C 600M
- Kyowazol C 600
- Pentane, 2-methyl-
Source lists
3| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | f2148702-6555-11dd-ad8b-0800200c9a66 | 2-methylpentane | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| ecoinvent | 3.12 | 3635d239-8c0f-4ebf-bc6c-07ca00bbc14c | Isohexane | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow. |
| ecoinvent | 3.8 | 3635d239-8c0f-4ebf-bc6c-07ca00bbc14c | Methyl Pentane | A curator's mapping table (ecoinvent-3.8-biosphere-EF-3.1-biosphere.json) names this flow. |
Concept associations
3| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | f2148702-6555-11dd-ad8b-0800200c9a66 | 2-methylpentane | Emissions/Emissions to water/Emissions to fresh water | exactMatch | — |
| ecoinvent 3.12 | 3635d239-8c0f-4ebf-bc6c-07ca00bbc14c | Isohexane | water / surface water | exactMatch | — |
| ecoinvent 3.8 | 3635d239-8c0f-4ebf-bc6c-07ca00bbc14c | Methyl Pentane | water / surface water | exactMatch | — |
History
The change log and the PROV-O trail (2 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": "1,1-Dimethylbutane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107-83-5",
"https://commonchemistry.cas.org/detail?cas_rn=107-83-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methylpentan",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107-83-5",
"https://commonchemistry.cas.org/detail?cas_rn=107-83-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isohexane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107-83-5",
"https://commonchemistry.cas.org/detail?cas_rn=107-83-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kyowasol C 600M",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107-83-5",
"https://commonchemistry.cas.org/detail?cas_rn=107-83-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kyowazol C 600",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107-83-5",
"https://commonchemistry.cas.org/detail?cas_rn=107-83-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentane, 2-methyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:107-83-5",
"https://commonchemistry.cas.org/detail?cas_rn=107-83-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H14"
],
"attested_by": {
"C6H14": [
"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:7892"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"AFABGHUZZDYHJO-UHFFFAOYSA-N"
],
"attested_by": {
"AFABGHUZZDYHJO-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:7892"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCC(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-methylpentane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
}
],
"attested_by": {
"CCCC(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/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-methylpentane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
}
],
"attested_by": {
"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-methylpentane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-methylpentane"
]
},
"attested_by": {
"2-methylpentane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
86.178
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
}
],
"attested_by": {
"86.178": [
"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": [
86.10955
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(C)C"
]
}
],
"attested_by": {
"86.10955": [
"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=J43.511B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.003.204",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.167.504",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1262",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=107-83-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"107-83-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=73513-42-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4029143",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66496",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/2-Methylpentane",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/49IB0U6MLD",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0061884",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7892",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[107-83-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1208",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88374",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL30909",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130225",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q209445",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7892;CAS:107-83-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[107-83-5]"
}
}
],
"prefLabel": [
{
"@value": "2-methylpentane",
"@language": "en",
"source": {
"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": "f2148702-6555-11dd-ad8b-0800200c9a66",
"identifier": "f2148702-6555-11dd-ad8b-0800200c9a66",
"source": "EF 3.1",
"cas_numbers": [
"107-83-5"
],
"ec_numbers": [
"203-523-4"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Surface water"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-bcfee7fb80a369b0",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/f2148702-6555-11dd-ad8b-0800200c9a66",
"skos:prefLabel": "2-methylpentane",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/f2148702-6555-11dd-ad8b-0800200c9a66"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/f2148702-6555-11dd-ad8b-0800200c9a66"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/3635d239-8c0f-4ebf-bc6c-07ca00bbc14c",
"skos:prefLabel": "Isohexane",
"context": "water / surface water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/f2148702-6555-11dd-ad8b-0800200c9a66"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/f2148702-6555-11dd-ad8b-0800200c9a66"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:3635d239-8c0f-4ebf-bc6c-07ca00bbc14c",
"Isohexane",
"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/3635d239-8c0f-4ebf-bc6c-07ca00bbc14c",
"skos:prefLabel": "Methyl Pentane",
"context": "water / surface water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/f2148702-6555-11dd-ad8b-0800200c9a66"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/f2148702-6555-11dd-ad8b-0800200c9a66"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.8:3635d239-8c0f-4ebf-bc6c-07ca00bbc14c",
"Methyl Pentane",
"ecoinvent-3.8-biosphere-EF-3.1-biosphere.json"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
}
],
"_sources": {
"prefLabel": "bootstrap_labels",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"ec_numbers": "ec_cross_check",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"107-83-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2-methylpentane",
"synonyms": [
"'Isohexane'",
"1,1-Dimethylbutane",
"2-Methyl pentane",
"AC1L1PSI",
"AC1Q1PA8",
"Dimethylpropylmethane",
"I14-2688",
"Isohexane",
"LTBB004353",
"Methyl pentane",
"Pentane, 2-methyl-"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to fresh water"
],
"cas_numbers": [
"107-83-5"
],
"ec_numbers": [],
"unit": "kg"
}
}