Cyclohexane
fo-d3bf9fe114575c72
Identity
- Type
- Neutral molecule
- CAS
- 110-82-7
- EC
- 203-806-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
6- Benzene, hexahydro-
- Cactus Solvent CHX
- Cyclohexan
- hexahydrobenzene
- hexamethylene
- hexanaphthene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XDTMQSROBMDMFD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 |
| IUPAC name chemrof:IUPAC_name | Cyclohexane |
| Molecular formula chemrof:molecular_formula | C6H12 |
| Molecular mass chemrof:molecular_mass | 84.162 |
| Monoisotopic mass chemrof:monoisotopic_mass | 84.0939 |
| SMILES string chemrof:smiles_string | C1CCCCC1 |
Known URLs
30Where 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=110-82-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=12217-02-6 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25012-93-5 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/GU602160.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29005 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.461 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.129.818 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0242 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4021923 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03561 | enrich_references.chebi_xrefs |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406835 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15980 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1662 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48K5MKG32S | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0029597 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2902.11.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.882G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11249 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11249 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43928 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-8923 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:CHX | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8078 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1145 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11234809 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24334480 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1900225 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1367180 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q211433 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Cyclohexane | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f214fc4d-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-a7e2-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 146f1b34-1180-4d76-920c-2df17ccbd7e4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a7e1-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| fe0acd60-3ddc-11dd-a7e3-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| fe0acd60-3ddc-11dd-a7e0-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| f214fc4c-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| f214fc4e-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f214fc4f-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a7e5-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ad0f-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| abcef27385b930473d1c6acbf013be9212667e29 | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a7e4-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e109395f0a32c2646ededa7c12bbd78bda572e19 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a7e6-0050c2490048 | 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