Isopropanol
fo-40ea65f09aeddec6
Identity
- Type
- Neutral molecule
- CAS
- 67-63-0
- EC
- 200-661-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
35- 1-methylethanol
- 1-methylethyl alcohol
- 2-hydroxypropane
- 2-Propanol
- 2-Propyl alcohol
- Alcojel
- Alcosolve 2
- Autosept
- Avantin
- Avantine
- Combi-Schutz
- Dimethylcarbinol
- Hartosol
- i-propanol
- i-Propylalkohol
- Imsol A
- iso-Propanol
- iso-Propyl alcohol
- Isohol
- ISOPROPYL ALCOHOL
- Isopropylalkohol
- Lutosol
- MeSH ID: D019840
- n-Propan-2-ol
- Petrohol
- PRO
- Propan-2-ol
- Propol
- sec-propanol
- sec-Propyl alcohol
- Steri-Fab
- Sterisol Hand Disinfectant
- Takineocol
- Tokuso IPA
- Virahol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KFZMGEQAYNKOFK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Isopropanol |
| Molecular formula chemrof:molecular_formula | C3H8O |
| Molecular mass chemrof:molecular_mass | 60.096 |
| Monoisotopic mass chemrof:monoisotopic_mass | 60.05751, 60.057515 |
| SMILES string chemrof:smiles_string | CC(C)O |
Known URLs
42Where 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=67-63-0 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/NT7AD550.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17824 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.601 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0554 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7020762 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04402 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02325 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:4215 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/4215 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=135801 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL582 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/isopropyl-alcohol | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1464 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ND2M416302 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000863 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2905.12.00.50 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.411G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01845 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00137 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01845 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00137 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00048438 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37471 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ISO-PROPANOL | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C602 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:IPA | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450117 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL582 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3776 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1219 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3316 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=186244 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24524727 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24653974 | enrich_references.chebi_xrefs |
| reaxys | reaxys:635639 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/797541 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0519 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q16392 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isopropyl_Alcohol | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Isopropyl_alcohol | enrich_references.pubchem_identifier_url |
| ymdb | ymdb:YMDB01718 | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c88f6-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-a845-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 0ea70d58-42df-43d2-821b-d4f15c00591c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a844-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| fe0acd60-3ddc-11dd-a846-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-a843-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-a841-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a84a-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a842-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a848-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a3d0-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 06a179e075285601559e1e3305739a58b347798e | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a847-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8f3276a6a893bb73c2d46bb5f4cb97c1cb414ba2 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a849-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-40ea65f09aeddec6",
"prefLabel": [
{
"@value": "Isopropanol",
"@language": "en",
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],
"altLabel": [
{
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{
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},
{
"@value": "2-hydroxypropane",
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},
{
"@value": "2-Propanol",
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},
{
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},
{
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},
{
"@value": "Alcosolve 2",
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},
{
"@value": "Autosept",
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},
{
"@value": "Avantin",
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},
{
"@value": "Avantine",
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},
{
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},
{
"@value": "Dimethylcarbinol",
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},
{
"@value": "Hartosol",
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],
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}
},
{
"@value": "i-propanol",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "i-Propylalkohol",
"@language": "en",
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}
},
{
"@value": "Imsol A",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "iso-Propanol",
"@language": "en",
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}
},
{
"@value": "iso-Propyl alcohol",
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],
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}
},
{
"@value": "Isohol",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ISOPROPYL ALCOHOL",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Isopropylalkohol",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Lutosol",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MeSH ID: D019840",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "n-Propan-2-ol",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Petrohol",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PRO",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propan-2-ol",
"@language": "en",
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"provenance": {
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Propol",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "sec-propanol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "sec-Propyl alcohol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67-63-0",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Steri-Fab",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67-63-0",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sterisol Hand Disinfectant",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Takineocol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67-63-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67-63-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tokuso IPA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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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