Hexyl Acetate
fo-8bf016a17b7efed8
Identity
- Type
- Neutral molecule
- CAS
- 142-92-7
- EC
- 205-572-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- 1-Hexyl acetate
- Acetic acid, hexyl ester
- Hexyl alcohol, acetate
- Hexyl ester acetic acid
- Hexyl ethanoate
- n-Hexyl acetate
- n-hexyl ethanoate
- ZED-N 60
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Hexyl Acetate |
| Molecular formula chemrof:molecular_formula | C8H16O2 |
| Molecular mass chemrof:molecular_mass | 144.214 |
| Monoisotopic mass chemrof:monoisotopic_mass | 144.11503 |
| SMILES string chemrof:smiles_string | CCCCCCOC(C)=O |
Known URLs
20Where 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=142-92-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87510 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.066 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6022006 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7323 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228454 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/hexyl-acetate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7U7KU3MWT0 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0029980 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.028A | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA07010184 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA07010184 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3829 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8908 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:1747138 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1807127 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q418672 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q72482293 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Hexyl_acetate | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5f1a5ee3-bdb3-45a2-b9d5-c17d267e59e1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3e02269d-2eec-47f8-9063-6467d2cb8a08 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| bdadafbc-a210-43ab-b854-510ea7c655e6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 179d5b7f-ec23-4bcf-8370-c47ba626daf2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4fee4913-e54e-4ef9-84d6-37e7778cce10 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9bbd596e-11ee-4e15-8132-cce9a1c29214 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c8919793-f415-4cfa-89f9-2d819a4b1de0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a8a001b8-cc8c-4fec-a55f-a5cdce0e3e2b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3aad5081-3c70-4412-b53f-387556db0018 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f06e4a58-207f-4ef2-aa17-a3ac65f52387 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d4ee4740-8da7-4097-b1dc-ac510644c467 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 59f71cc1-1093-4436-8247-e68d44baf2e5 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0a3eb87e-860d-4cef-b889-c17b2369e9ae | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 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