Brightway Flows 1.0
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Dimethyl Sebacate

fo-3c4b847018bd9ac8

Identity

Type
Neutral molecule
CAS
106-79-6
EC
203-431-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dimethyl Sebacate

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ALOUNLDAKADEEB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl Sebacate
Molecular formula chemrof:molecular_formula C12H22O4
Molecular mass chemrof:molecular_mass 230.304
Monoisotopic mass chemrof:monoisotopic_mass 230.151809, 230.15181
SMILES string chemrof:smiles_string COC(=O)CCCCCCCCC(=O)OC

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=106-79-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194205 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.121 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026740 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9415 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186083 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G87745M355 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.246H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130651 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7829 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16572997 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27215462 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32841870 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33901444 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34445200 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6706161 enrich_references.chebi_xrefs
reaxys reaxys:1785523 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27278920 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6c4b9ad1-e933-4980-a6e4-7b41dad87c72 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b4f4543-0a09-4276-8e21-ae9c36bfbef5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
80b884f5-f706-414c-8efa-b2f8f49682fd Environmental → Air → Indoor EF 3.1 kg 4
36c505f1-1dec-4ad8-a682-391f8f3a0b57 Environmental → Air → Long-term EF 3.1 kg 0
5ae285e7-7530-424c-95c3-a751a3fd7e47 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
16ed94eb-e826-48b7-b4dd-6f9db130ec18 Environmental → Air → Unknown EF 3.1 kg 4
caeb07a0-cbd7-4b23-aee5-226b7f3d5902 Environmental → Ground → Agricultural EF 3.1 kg 4
43c3a9d3-4257-4050-958d-b23c72d377d6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dd83fa3a-45c5-454f-946b-af1c09fdf0d6 Environmental → Ground → Unknown EF 3.1 kg 4
dcff2796-99e4-4f19-98b5-8012f5dca099 Environmental → Water → Long-term EF 3.1 kg 0
f6caba96-0fb2-4b61-b006-dced7540a0db Environmental → Water → Ocean EF 3.1 kg 4
600271a9-37cb-4315-a784-5cc614c59ca5 Environmental → Water → Surface water EF 3.1 kg 4
1af0f062-6e84-40e9-8ad2-3025d03e90c9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3c4b847018bd9ac8",
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