Consensus flow list

Cyclododecanone

fo-e42119431fb75bc7

Identity

Type
Neutral molecule
CAS
830-13-7
EC
212-595-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Cyclododecanone

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SXVPOSFURRDKBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
IUPAC name chemrof:IUPAC_name Cyclododecanone
Molecular formula chemrof:molecular_formula C12H22O
Molecular mass chemrof:molecular_mass 182.307
Monoisotopic mass chemrof:monoisotopic_mass 182.167065, 182.16707
SMILES string chemrof:smiles_string O=C1CCCCCCCCCCC1

Known URLs

14

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=830-13-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:177614 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.450 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.12690.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027322 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77116 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1883853 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WL053118A9 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031341 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.686A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44836 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13246 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q1147500 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cyclododecanone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
71a53711-1362-488c-a72e-4f338e71b76b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
252caaf1-640d-479a-a22e-2a773ba0b44f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
61fa8f89-1865-48b6-919a-55006319f84e Environmental → Air → Indoor EF 3.1 kg 2
9ab20349-041c-4455-9aa0-4fc1fd8987c7 Environmental → Air → Long-term EF 3.1 kg 0
8bf3ee92-392a-4ded-9112-25ea87136221 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1f3eba8b-61f4-4332-8936-7a7f92659325 Environmental → Air → Unknown EF 3.1 kg 2
079bf308-ffde-483b-a91a-6a9ff0640205 Environmental → Ground → Agricultural EF 3.1 kg 2
01006122-84fb-4ec0-b5e4-6e33666ec471 Environmental → Ground → Non-agricultural EF 3.1 kg 2
596eb98b-b025-4389-8c5c-cc70920bc7f7 Environmental → Ground → Unknown EF 3.1 kg 2
1b7aed2e-e0e7-40d0-95a4-c33c0f093df8 Environmental → Water → Long-term EF 3.1 kg 0
59712bdd-dabf-43aa-a523-5719ec8c63ff Environmental → Water → Ocean EF 3.1 kg 2
85a03eb7-e801-43bb-bd5f-5e0747c79a9e Environmental → Water → Surface water EF 3.1 kg 2
2dacef37-7eb7-40c7-af50-1e00d7a9f2b1 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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}

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