Cyclohexyl Acetate
fo-949be1785e26a5b7
Identity
- Type
- Neutral molecule
- CAS
- 622-45-7
- EC
- 210-736-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- Acetic acid cyclohexanyl ester
- Acetic acid, cyclohexyl ester
- Acetoxycyclohexane
- Celtol CHXA
- Cyclohexanol, acetate
- Rhodiasolv AC 6
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YYLLIJHXUHJATK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 |
| IUPAC name chemrof:IUPAC_name | Cyclohexyl Acetate |
| Molecular formula chemrof:molecular_formula | C8H14O2 |
| Molecular mass chemrof:molecular_mass | 142.198 |
| Monoisotopic mass chemrof:monoisotopic_mass | 142.09938 |
| SMILES string chemrof:smiles_string | CC(=O)OC1CCCCC1 |
Known URLs
16Where 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=622-45-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31447 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.761 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0426 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6052299 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8772 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/cyclohexyl-acetate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UL0RS4H1UE | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031352 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.088E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C12297 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C12297 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44842 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12146 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2243 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q2706345 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 17b25214-93c9-4d8b-8410-a2f96ee1464d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| e57e67a2-15dc-48ae-a427-9594e97ef47d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 32505350-4215-437c-a23f-8f678856bc23 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 62dc6ef5-2ade-4913-b958-29720f6f26e7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0d63fe6c-fd6e-4aa6-83bd-12f520b477f9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fc066825-cf79-49eb-8066-58584afb8819 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8b29ed49-c4a3-4e98-a262-c465b051dcf4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c012d3dd-e97e-441a-91e5-53866e6d2763 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ebc57650-2692-4e60-afb6-0daa9815b0c7 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a2cbc7c0-73cb-4242-add0-627edd85ed96 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 18587609-d2b8-4db6-acc3-e16e00bb2569 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6a991072-ee68-43e9-be7f-6cb8dfe092cc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b5e59b97-bd2f-4539-9ea6-c2e0f71a79ba | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"210-736-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=210-736-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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