Hexan-3-ol
fo-dfc69fcc83f11f2d
Identity
- Type
- Neutral molecule
- CAS
- 623-37-0
- EC
- 210-790-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- (±)-3-Hexanol
- 1-Ethyl-1-butanol
- 1-ethylbutanol
- 3-hexanol
- 3-hexyl alcohol
- DL-3-Hexanol
- ethyl propyl carbinol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZOCHHNOQQHDWHG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Hexan-3-ol |
| Molecular formula chemrof:molecular_formula | C6H14O |
| Molecular mass chemrof:molecular_mass | 102.177 |
| Monoisotopic mass chemrof:monoisotopic_mass | 102.104465, 102.10447 |
| SMILES string chemrof:smiles_string | CCCC(O)CC |
Known URLs
27Where 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 |
|---|---|---|
| agr | agr:IND601328399 | enrich_references.chebi_xrefs |
| agr | agr:IND605242894 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=623-37-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88653 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.810 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID70862314 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60708 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL46678 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/3-hexanol | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB008073 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I1ZTO95J84 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031493 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J94.874H | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00055659 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=137019 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12178 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24421258 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28695387 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31017726 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33220393 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35916419 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35994613 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/37628096 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1718964 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q83763 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3-Hexanol | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3-hexanol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 661263c0-679c-4c37-99e6-923a9745c4bb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 60dbfab5-349d-476b-a1ce-f08366fc00f4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 68c5625c-0ba5-4ad0-adc8-60cec2b33080 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 6920a670-7c20-4571-98c8-5ff2f46f240e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2bdc2515-3ec4-45de-9b93-be006b4be052 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 11dc8f7c-c62c-4058-a2b3-78b9d424245b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 0808bd20-96e2-4e9c-9929-6ec7901b537c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 67d3e978-e17d-4768-9df0-041b005461a1 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 7b7ade5f-51b6-47bd-be23-a0952f8a0ca5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c4636251-bbcc-498a-a4dd-2f3c57a77d51 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d391bfb3-884d-4730-93ae-77f3b9de1529 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 0940cdbd-5119-4305-981b-8b79cd187365 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 9856d527-0649-451a-8412-4c8632f25b93 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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