Isobutanol
fe0acd60-3ddc-11dd-a432-0050c2490048
Identity
- Substance
- fo-49632fc7a25e7d7b Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 78-83-1
- EC
- 201-148-0
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
18- 1-Hydroxymethylpropane
- 2-Methyl-1-propanol
- 2-methylpropan-1-ol
- 2-methylpropanol
- IBA
- Isobutylalkohol
- i-Butanol
- i-Butyl alcohol
- iso-C4H9OH
- iso-butyl alcohol
- isobutyl alcohol
- isopropylcarbinol
- 1-Hydroxy-2-methylpropane
- 1-Isobutanol
- 1-Methyl-2-propanol
- 1-Propanol, 2-methyl-
- 2-Methylpropyl alcohol
- Isopropyl carbinol
Source lists
4| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | fe0acd60-3ddc-11dd-a432-0050c2490048 | isobutanol | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| bafu | 2026-v1 | 2da6b09d-37d6-53e0-aa8d-281c6b5a3e6d | Isobutanol | The CAS numbers are the same (78-83-1); both name the same compartment. |
| ecoinvent | 3.12 | e2d860e3-1038-4386-a5f1-25ad75d18bbd | Isobutanol | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow. |
| ecoinvent | 3.8 | e2d860e3-1038-4386-a5f1-25ad75d18bbd | Isobutanol | A curator's mapping table (ecoinvent-3.8-biosphere-EF-3.1-biosphere.json) names this flow. |
Concept associations
4| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | fe0acd60-3ddc-11dd-a432-0050c2490048 | isobutanol | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
| ecoinvent 3.12 | e2d860e3-1038-4386-a5f1-25ad75d18bbd | Isobutanol | air / urban air close to ground | exactMatch | — |
| ecoinvent 3.8 | e2d860e3-1038-4386-a5f1-25ad75d18bbd | Isobutanol | air / urban air close to ground | exactMatch | — |
| bafu 2026-v1 | 2da6b09d-37d6-53e0-aa8d-281c6b5a3e6d | Isobutanol | emissions to air / high. pop. | closeMatch | — |
Characterisation factors
15- consensus-flow-list 5
- European Commission — JRC 5
- ecoinvent Centre 5
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 | European Commission — JRC | Ecotoxicity, freshwater | — | 1.2777 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 1.2777 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 1.2777 | agreed |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 1.2777 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 1.2777 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 1.2777 | agreed |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 2.0266e-09 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer | — | 2.0266e-09 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 2.0266e-09 | agreed |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 2.0266e-09 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer_organics | — | 2.0266e-09 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 2.0266e-09 | agreed |
| EF 3.1 | European Commission — JRC | Photochemical ozone formation - human health | — | 0.608 | — |
| EF 3.1 | ecoinvent Centre | Photochemical ozone formation - human health | — | 0.608 | — |
| EF 3.1 | consensus-flow-list | Photochemical ozone formation - human health | — | 0.608 | agreed |
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-Hydroxymethylpropane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-Methyl-1-propanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-methylpropan-1-ol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-methylpropanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "IBA",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Isobutylalkohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "i-Butanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "i-Butyl alcohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "iso-C4H9OH",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "iso-butyl alcohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "isobutyl alcohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "isopropylcarbinol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1-Hydroxy-2-methylpropane",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78-83-1",
"https://commonchemistry.cas.org/detail?cas_rn=78-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Isobutanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78-83-1",
"https://commonchemistry.cas.org/detail?cas_rn=78-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Methyl-2-propanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78-83-1",
"https://commonchemistry.cas.org/detail?cas_rn=78-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Propanol, 2-methyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78-83-1",
"https://commonchemistry.cas.org/detail?cas_rn=78-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methylpropyl alcohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78-83-1",
"https://commonchemistry.cas.org/detail?cas_rn=78-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isopropyl carbinol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:78-83-1",
"https://commonchemistry.cas.org/detail?cas_rn=78-83-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H10O"
],
"attested_by": {
"C4H10O": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)CO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isobutanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
}
],
"attested_by": {
"CC(C)CO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isobutanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
}
],
"attested_by": {
"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZXEKIIBDNHEJCQ-UHFFFAOYSA-N"
],
"attested_by": {
"ZXEKIIBDNHEJCQ-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
74.123
],
"attested_by": {
"74.123": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
74.07316,
74.073165
],
"attested_by": {
"74.07316": [
"enrich_references.chebi_semantic"
],
"74.073165": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CO"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Isobutanol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isobutanol"
]
},
"attested_by": {
"Isobutanol": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "gmelin:49282",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.831B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.044",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0113",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=78-83-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0021759",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5708",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Isobutanol",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56F9Z98TEM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0006006",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://hts.usitc.gov/search?query=2905.14.50.10",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://lipidmaps.org/databases/lmsd/LMFA05000100",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6560",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[78-83-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1212",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/24305546",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/24430208",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.cdc.gov/niosh-rtecs/NP92DDA8.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46645",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL269630",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://www.femaflavor.org/flavor-library/isobutyl-alcohol",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://www.genome.jp/entry/C14710",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.kegg.jp/entry/C14710",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3190",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q151797",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6560;CAS:78-83-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[78-83-1]"
}
},
{
"@id": "reaxys:1730878",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "ymdb:YMDB00573",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Isobutanol",
"@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": [
{
"@value": "An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_46645"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"uuid": "fe0acd60-3ddc-11dd-a432-0050c2490048",
"identifier": "fe0acd60-3ddc-11dd-a432-0050c2490048",
"source": "EF 3.1",
"cas_numbers": [
"78-83-1"
],
"ec_numbers": [
"201-148-0"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Ground level",
"population_density": "Urban (>1000 people/square mile)"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 1.2777
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 2.0266e-9
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 2.0266e-9
},
{
"method_uuid": "b5c610fe-def3-11e6-bf01-fe55135034f3",
"name": "Photochemical ozone formation - human health",
"methodology": "Environmental Footprint",
"impact_category": "Photochemical ozone creation",
"impact_indicator": "Tropospheric ozone concentration increase",
"characterization_factor": 0.608
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 1.2777
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-49632fc7a25e7d7b",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-11dd-a432-0050c2490048",
"skos:prefLabel": "isobutanol",
"context": "Emissions/Emissions to air/Emissions to urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
},
"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/e2d860e3-1038-4386-a5f1-25ad75d18bbd",
"skos:prefLabel": "Isobutanol",
"context": "air / urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:e2d860e3-1038-4386-a5f1-25ad75d18bbd",
"Isobutanol",
"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/e2d860e3-1038-4386-a5f1-25ad75d18bbd",
"skos:prefLabel": "Isobutanol",
"context": "air / urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.8:e2d860e3-1038-4386-a5f1-25ad75d18bbd",
"Isobutanol",
"ecoinvent-3.8-biosphere-EF-3.1-biosphere.json"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/bafu/2026-v1/flow/2da6b09d-37d6-53e0-aa8d-281c6b5a3e6d",
"skos:prefLabel": "Isobutanol",
"context": "emissions to air / high. pop.",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:closeMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/fe0acd60-3ddc-11dd-a432-0050c2490048"
},
"provenance": {
"prov:wasGeneratedBy": "merge_bafu",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"bafu:2026-v1:2da6b09d-37d6-53e0-aa8d-281c6b5a3e6d",
"Isobutanol",
"",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:78-83-1",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=14",
"algorithm.selector_reason=exact-context-iri-match",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:78-83-1);flow_object_candidates(1);elementary_candidates(14);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"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": {
"78-83-1": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "isobutanol",
"synonyms": [
"1-Hydroxymethylpropane",
"1-Isobutanol",
"1-Propanol, 2-methyl-",
"2-Methyl propanol",
"2-Methyl-1-propanol",
"2-Methylpropan-1-ol",
"2-Methylpropanol",
"2-Methylpropanol-1",
"2-Methylpropyl alcohol",
"AC1L1MSV",
"AC1Q1PQD",
"AKOS000118740",
"Alcohols, C8-13-iso-",
"Alcool isobutylique",
"Fermentation butyl alcohol",
"I0094",
"ISOBUTYL ALCOHOL",
"Iso-butyl alcohol",
"Isobutyl alcohol (8CI)",
"Isobutylalkohol",
"Isopropyl carbinol",
"Isopropylcarbinol",
"LTBB002055",
"i-Butanol",
"i-Butyl alcohol",
"iso-C4H9OH",
"isobutyl alcohol, aluminum salt",
"isobutyl alcohol, sodium salt",
"isobutyl alcohol, titanium (+4) salt",
"nchem.651-comp3f"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to urban air close to ground"
],
"cas_numbers": [
"78-83-1"
],
"ec_numbers": [
"201-148-0"
],
"unit": "kg"
}
}