Consensus flow list

(8z)-dodec-8-en-1-ylacetate

fo-4a8e0d9a0861dc47

Identity

Type
NeutralMolecule
CAS
28079-04-1
EC
248-823-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (8z)-dodec-8-en-1-ylacetate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SUCYDSJQVVGOIW-WAYWQWQTSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3/b6-5-
Isomeric SMILES string chemrof:isomeric_smiles_string CCC/C=C\CCCCCCCOC(C)=O
IUPAC name chemrof:IUPAC_name [(Z)-dodec-8-enyl] acetate
Molecular formula chemrof:molecular_formula C14H26O2
Molecular mass chemrof:molecular_mass 226.36
Monoisotopic mass chemrof:monoisotopic_mass 226.19328
SMILES string chemrof:smiles_string CCCC=CCCCCCCCOC(C)=O

Known URLs

11

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=28079-04-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179337 enrich_references.chebi_id_link
ChemSpider https://www.chemspider.com/Chemical-Structure.4515731.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9035543 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0MWD335OTN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.090H enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010245 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010245 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3890 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5363377 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236972 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
49d19009-0e84-4087-995c-ea1b9a1fa730 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
62605663-3cae-4d02-8d35-bab99fefabee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
edf331ae-c8b9-45a0-aa20-a5294fa1c388 Environmental → Air → Indoor EF 3.1 kg 2
6bc3077f-db14-4007-9597-ae5c107a8fd6 Environmental → Air → Long-term EF 3.1 kg 0
3fe73588-6dac-44f8-a2e4-eb3938097247 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
71b0b439-70a9-4cc1-8999-a52926f783d2 Environmental → Air → Unknown EF 3.1 kg 2
1d3d18ae-63ee-4310-8574-17d852cca1b8 Environmental → Ground → Agricultural EF 3.1 kg 2
9ade2325-b9d9-4038-a5d7-12af6a6915cd Environmental → Ground → Non-agricultural EF 3.1 kg 2
3f647713-fcd4-4285-9acc-bbbae9985b8e Environmental → Ground → Unknown EF 3.1 kg 2
39c3c472-7128-48fb-a508-f4d80701f6b0 Environmental → Water → Long-term EF 3.1 kg 0
56f5bf1b-3da8-4c6c-8a3f-3504347350ef Environmental → Water → Ocean EF 3.1 kg 2
f2b61162-ea4c-4df3-988f-008016d2880e Environmental → Water → Surface water EF 3.1 kg 2
56889091-b741-487d-95e9-cc7f3ff0fb61 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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