Consensus flow list

Decanedioic Acid, Dibutyl Ester

fo-3e23fcfc7a4edd01

Identity

Type
Neutral molecule
CAS
109-43-3
EC
203-672-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Decanedioic Acid, Dibutyl Ester

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PYGXAGIECVVIOZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
IUPAC name chemrof:IUPAC_name Decanedioic Acid, Dibutyl Ester
Molecular formula chemrof:molecular_formula C18H34O4
Molecular mass chemrof:molecular_mass 314.466
Monoisotopic mass chemrof:monoisotopic_mass 314.24571
SMILES string chemrof:smiles_string CCCCOC(=O)CCCCCCCCC(=O)OCCCC

Known URLs

21

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=109-43-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165632 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.339 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1349 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13837584.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041847 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3893 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106225 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/dibutyl-sebacate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4W5IH7FLNY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041220 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.968B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D03782 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D03782 enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010828 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49288 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76705 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7986 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1363700 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q411272 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dibutyl_sebacate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
204278dc-bd57-49f6-a0aa-cb9434447a43 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ae8825f2-6d49-4e6a-9712-1b5ceb828551 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c1dcb357-1627-4a0f-8254-1111a2f24a2f Environmental → Air → Indoor EF 3.1 kg 2
05e3abf7-9dc7-4c9d-901c-f02e8c23bd24 Environmental → Air → Long-term EF 3.1 kg 0
fc69a76f-b536-4b3d-9a98-9500d48ddf9d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6a5b4439-97da-436e-81c5-9a66ebf75ed4 Environmental → Air → Unknown EF 3.1 kg 2
57208338-ed91-41b4-921c-9afde950a98d Environmental → Ground → Agricultural EF 3.1 kg 2
8c85ef75-ad46-4b95-a170-aa813f4c23bc Environmental → Ground → Non-agricultural EF 3.1 kg 2
ca5a6914-6a30-4ffe-b807-114188f9f911 Environmental → Ground → Unknown EF 3.1 kg 2
30eb7ec0-12a5-4020-b196-e2a973ec4608 Environmental → Water → Long-term EF 3.1 kg 0
d3ac7e10-2b98-4724-a15d-ed396e34dc5b Environmental → Water → Ocean EF 3.1 kg 2
64da02b7-6cb1-447c-ba21-f6165546d6b7 Environmental → Water → Surface water EF 3.1 kg 2
48692d88-da19-4241-8e65-aa97c3e200f1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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