Consensus flow list

Diethyl Sebacate

fo-de627b965bf4beef

Identity

Type
Neutral molecule
CAS
110-40-7
EC
203-764-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Diethyl Sebacate

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ONKUXPIBXRRIDU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
IUPAC name chemrof:IUPAC_name Diethyl Sebacate
Molecular formula chemrof:molecular_formula C14H26O4
Molecular mass chemrof:molecular_mass 258.358
Monoisotopic mass chemrof:monoisotopic_mass 258.183109, 258.18311
SMILES string chemrof:smiles_string CCOC(=O)CCCCCCCCC(=O)OCC

Known URLs

18

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=110-40-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:172099 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.423 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7758.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021915 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8911 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1884461 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/diethyl-sebacate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I41B9FJK6V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040429 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.519K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D10682 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D10682 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49038 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77461 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8049 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1426475 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27280379 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6004b26c-ec46-47bd-83f5-c5a4f2ef1ea1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e369b3a9-0d13-48d1-9070-7cb24ec13ef6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f469ad5f-5391-48c0-9580-896c81167b88 Environmental → Air → Indoor EF 3.1 kg 2
0dd102ff-2c6f-45bf-8720-b342c9f6fa08 Environmental → Air → Long-term EF 3.1 kg 0
a47b1cc4-2c03-4460-ae13-0fd079bd44ee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
49976870-50e8-44b6-8bd3-6b3fe152a321 Environmental → Air → Unknown EF 3.1 kg 2
7c6eba91-549c-438f-99ef-ce819e65306c Environmental → Ground → Agricultural EF 3.1 kg 2
0c7ff431-7130-40a5-a544-1031a4a8e6db Environmental → Ground → Non-agricultural EF 3.1 kg 2
3bc587b9-c1dc-4995-9fbb-c31568645eca Environmental → Ground → Unknown EF 3.1 kg 2
c3e9c84d-59af-4690-959f-6e504aea609c Environmental → Water → Long-term EF 3.1 kg 0
3dfd4a98-7edf-4de5-bda1-cb0a5ca6b624 Environmental → Water → Ocean EF 3.1 kg 2
c60fd5a8-78b8-45e8-b24f-cbb02d53900b Environmental → Water → Surface water EF 3.1 kg 2
d3216d47-a1b5-484c-8193-7469801d6656 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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