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2-methylcyclohexanone

fo-af913df38a90c732

Identity

Type
Neutral molecule
CAS
583-60-8
EC
209-513-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-methylcyclohexanone

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LFSAPCRASZRSKS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name 2-methylcyclohexanone
Molecular formula chemrof:molecular_formula C7H12O
Molecular mass chemrof:molecular_mass 112.172
Monoisotopic mass chemrof:monoisotopic_mass 112.088815, 112.08882
SMILES string chemrof:smiles_string CC1CCCCC1=O

Known URLs

29

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
agr agr:IND44091056 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=583-60-8 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/GW1AB3F0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195390 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.650 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6052245 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=524 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1946183 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/2-methylcyclohexanone enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB008147 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56E8224ZFJ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031539 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.301D enrich_references.pubchem_identifier_url
knapsack knapsack:C00062304 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44936 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/TQ6TKXSS2GHS enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11419 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2297 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10712879 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18427929 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24206217 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26066994 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26194788 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27299552 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32725638 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34643382 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37265714 enrich_references.chebi_xrefs
reaxys reaxys:506751 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q20968563 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6e909c07-21c9-43b1-88de-14a0ea5f587a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6c1276bb-dd6e-40c7-923e-cac38686cd20 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aac6e1ef-5264-4e40-a889-794fdf0c1d82 Environmental → Air → Indoor EF 3.1 kg 2
3e146659-2c49-42d5-b278-29f033cd2ab6 Environmental → Air → Long-term EF 3.1 kg 0
2af06c95-1fe6-4ed7-9e28-96e7b5346f19 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b0a7b5ef-b193-457b-a1ab-b0a7e3fabe01 Environmental → Air → Unknown EF 3.1 kg 2
6f2599d3-167d-4111-a569-427bbaede8bd Environmental → Ground → Agricultural EF 3.1 kg 2
e481284f-7a96-44e9-bc35-e9bfbbabcd14 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8c228bf1-e961-433b-a1f2-66446253881e Environmental → Ground → Unknown EF 3.1 kg 2
18cbfa9e-0437-4fde-a023-42a850a08526 Environmental → Water → Long-term EF 3.1 kg 0
0f2e44e5-e505-42bd-8736-9bbe5e696845 Environmental → Water → Ocean EF 3.1 kg 2
03d773d3-5a32-4711-a2e6-3dfaa0ce5ead Environmental → Water → Surface water EF 3.1 kg 2
5f42fb03-1ae5-44c9-b315-0f1203d8828c 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 
{
  "flow_object_id": "fo-af913df38a90c732",
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