Consensus flow list

Identity

Type
Neutral molecule
CAS
111-81-9
EC
203-910-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl Undec-10-enoate

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KISVAASFGZJBCY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
IUPAC name chemrof:IUPAC_name Methyl Undec-10-enoate
Molecular formula chemrof:molecular_formula C12H22O2
Molecular mass chemrof:molecular_mass 198.306
Monoisotopic mass chemrof:monoisotopic_mass 198.16198
SMILES string chemrof:smiles_string C=CCCCCCCCCC(=O)OC

Known URLs

16

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=111-81-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87493 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.555 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5046566 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1273 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1591973 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/methyl-10-undecenoate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RWN4DY6S6T enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029585 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.865A enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010937 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43923 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8138 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19146429 enrich_references.chebi_xrefs
reaxys reaxys:1765394 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27159670 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4715ce42-bbf1-429c-9d25-1b15c047e83d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b73e3dc5-646e-4fc9-8c1c-100a3acdf479 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1a3ae359-811c-4daa-8367-ec6b95bc5697 Environmental → Air → Indoor EF 3.1 kg 4
83697009-5ba5-434d-ae72-1a4e1d6d41e6 Environmental → Air → Long-term EF 3.1 kg 0
c960dbeb-e461-470e-8247-5e4f26df36d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
13d3ee30-7051-47d3-acfe-9cfb6f6e550b Environmental → Air → Unknown EF 3.1 kg 4
50b1b706-d380-4d97-9eed-6d2675906c97 Environmental → Ground → Agricultural EF 3.1 kg 4
836c50eb-b8a7-4cfc-a174-f66a502e6a9e Environmental → Ground → Non-agricultural EF 3.1 kg 4
29af83e3-3293-4643-83d8-3812c24d5275 Environmental → Ground → Unknown EF 3.1 kg 4
637f66e1-a100-4dfc-92cd-3249697bae14 Environmental → Water → Long-term EF 3.1 kg 0
b917fbd5-13c0-4706-bc3c-c609d3a57cc2 Environmental → Water → Ocean EF 3.1 kg 4
f5043af3-b352-4a07-988e-abc2ea4fa0f9 Environmental → Water → Surface water EF 3.1 kg 4
ae1aa5c5-a5ea-4776-ab80-ef457be13203 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
{
  "flow_object_id": "fo-317de5a6e64443f4",
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    {
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      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "10-Hendecenoic acid methyl ester",
      "@language": "en",
      "@lang": "en",
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    },
    {
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    },
    {
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    },
    {
      "@value": "Maskod MNS 01-10",
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    {
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    {
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    },
    {
      "@value": "Methyl undec-10-enylate",
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    },
    {
      "@value": "Methyl undecenoate",
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    {
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