Brightway Flows 1.0
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Methyl Laurate

fo-de6404a6f0ae651f

Identity

Type
Neutral molecule
CAS
111-82-0
EC
203-911-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl Laurate

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UQDUPQYQJKYHQI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
IUPAC name chemrof:IUPAC_name Methyl Laurate
Molecular formula chemrof:molecular_formula C13H26O2
Molecular mass chemrof:molecular_mass 214.349
Monoisotopic mass chemrof:monoisotopic_mass 214.19328
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)OC

Known URLs

19

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=111-82-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87494 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.556 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026889 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5027 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1894365 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/methyl-laurate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8IPS6BI6KW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031018 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J374C enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010463 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4108 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83962 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8139 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=212985 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25964351 enrich_references.chebi_xrefs
reaxys reaxys:1767780 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1362932 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27159671 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
df68e216-7f49-41ad-8d97-6b5eaa5f8b50 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bb371519-5709-4d58-8473-6b38a980d831 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eed73f51-a4d4-465e-8c6b-c30423232b4e Environmental → Air → Indoor EF 3.1 kg 4
acf9068c-2a0f-4b0f-abde-83f16091f519 Environmental → Air → Long-term EF 3.1 kg 0
33f97f49-d767-43b1-8efb-4da0f4df38b2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
50c5fb60-c4d2-4b01-8fe7-55c6cf14d295 Environmental → Air → Unknown EF 3.1 kg 4
1bc2b6b5-1e1e-4767-a4c5-22c24d06e318 Environmental → Ground → Agricultural EF 3.1 kg 4
62a1faae-0a8b-46d4-88d0-5849e24db7a2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2ea3b9ae-cb98-48b5-a409-19b9ecd9bdd6 Environmental → Ground → Unknown EF 3.1 kg 4
74945a88-9a84-40ca-ab2e-806ac425c446 Environmental → Water → Long-term EF 3.1 kg 0
353e73e4-c2ee-4f77-9e22-e2bf0a1aefc4 Environmental → Water → Ocean EF 3.1 kg 4
285e4e26-b597-44f2-9dee-d8b97e7ec18d Environmental → Water → Surface water EF 3.1 kg 4
b90735bb-5740-42aa-8032-72bd74656c7e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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