Consensus flow list

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

Structure diagram for Cyclohexane

Alternative labels

7

Properties

PropertyValue
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

30

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
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