Butanol
fo-f44408e65b7197cc
Identity
- Type
- Neutral molecule
- CAS
- 71-36-3
- EC
- 200-751-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- 1-BUTANOL
- 1-butyl alcohol
- 1-hydroxybutane
- BuOH
- butan-1-ol
- Butyl alcohol
- Butyl hydroxide
- Hemostyp
- MeSH ID: D020001
- Methylolpropane
- n-butan-1-ol
- n-Butanol
- n-butyl alcohol
- n-Butylalkohol
- propyl carbinol
- Propylcarbinol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LRHPLDYGYMQRHN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Butanol |
| Molecular formula chemrof:molecular_formula | C4H10O |
| Molecular mass chemrof:molecular_mass | 74.123 |
| Monoisotopic mass chemrof:monoisotopic_mass | 74.07316, 74.073165 |
| SMILES string chemrof:smiles_string | CCCCO |
Known URLs
41Where 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=35296-72-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=71-36-3 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/EO155CC0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28885 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.683 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.256.997 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0111 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021740 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB02145 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02145 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62782 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14245 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/butyl-alcohol | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:25753 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8PJ61P6TS3 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0004327 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2905.13.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.374D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06142 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D03200 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06142 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03200 | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA05000109 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=135345 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3199 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=BUTANOL | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76700 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:1BO | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL14245 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1309 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/263 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1120 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23980702 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7096503 | enrich_references.chebi_xrefs |
| reaxys | reaxys:969148 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1310579 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q16391 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1-Butanol | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Butan-1-ol | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Butanol | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-Butanol | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86bc593-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| d86c3aa7-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 5ea15bd1-be76-4d33-9228-0386684ff1ea | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d86b9e8e-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| d86becac-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| d86b9e88-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| d86b9e6b-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d86bec8f-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d86c13b4-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-90e7-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-90e9-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2454c24ba4dbdc341eea07ad05802f2dc25b08b8 | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-90e6-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2d418f7c900d8a53188405c9c539fa303727d251 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-90e8-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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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