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1,4-dimethylcyclohexane

fo-208ed5f74620848d

Identity

Type
Neutral molecule
CAS
589-90-2
EC
209-663-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,4-dimethylcyclohexane

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QRMPKOFEUHIBNM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,4-dimethylcyclohexane
Molecular formula chemrof:molecular_formula C8H16
Molecular mass chemrof:molecular_mass 112.216
Monoisotopic mass chemrof:monoisotopic_mass 112.1252, 112.125201
SMILES string chemrof:smiles_string CC1CCC(C)CC1

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=589-90-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165732 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.786 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.855 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.930 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.11039.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301025608 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401015836 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5075284 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=44845 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74160 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74162 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/417GE5869Y enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8NUV3O4B1R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.004I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.405A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.406J enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000638 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000638 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5333 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11523 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20731395 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23656170 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23815675 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25848679 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27730683 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30918643 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32269511 enrich_references.chebi_xrefs
reaxys reaxys:969181 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q81977041 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
05855520-733f-4605-b288-1bd351765baf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
85b0f471-f291-45f7-8544-d4d8051e014a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fe02e537-2112-4bf9-b151-4829c23820ea Environmental → Air → Indoor EF 3.1 kg 2
805959a1-8acf-4397-bec3-026354cdeb4b Environmental → Air → Long-term EF 3.1 kg 0
a8793b21-0e6d-4c40-bd17-b227a33648a7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
87efd6f6-7acb-41fc-8bdf-b7fcc9a979b5 Environmental → Air → Unknown EF 3.1 kg 2
8f0fd43d-4aa2-4448-839b-436422024ef9 Environmental → Ground → Agricultural EF 3.1 kg 2
fe7244c0-649a-4115-ae75-f8019ed46af7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4913c16f-96de-428a-8da7-bcb42ffb6c96 Environmental → Ground → Unknown EF 3.1 kg 2
2994b768-59f2-49e8-8fc5-23001e667b5c Environmental → Water → Long-term EF 3.1 kg 0
6bf78144-bb40-44a3-baef-230f4978b98c Environmental → Water → Ocean EF 3.1 kg 2
b045879f-e5d9-4006-831f-95ad8d2a6e6a Environmental → Water → Surface water EF 3.1 kg 2
6406f7f6-fe18-4f67-bbde-a764f5832b4a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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