Consensus flow list

(7e,9z)-dodecadienylacetate

fo-41e8a2f3daea2275

Identity

Type
NeutralMolecule
CAS
54364-62-4
EC
259-127-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (7e,9z)-dodecadienylacetate

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

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LLRZUAWETKPZJO-SCFJQAPRSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4-,7-6+
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C\C=C\CCCCCCOC(C)=O
IUPAC name chemrof:IUPAC_name (7E,9Z)-7,9-Dodecadien-1-ol acetate
Molecular formula chemrof:molecular_formula C14H24O2
Molecular mass chemrof:molecular_mass 224.344
Monoisotopic mass chemrof:monoisotopic_mass 224.17763
SMILES string chemrof:smiles_string CCC=CC=CCCCCCCOC(C)=O

Known URLs

10

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=54364-62-4 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:196041 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.734 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301014954 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ODG58N4V3J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J266.871H enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010239 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3884 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1794807 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27285589 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d217b72d-ae42-4a9f-a957-33999265bd43 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe477b37-382c-4382-97e8-bed5e1567897 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f297b28c-d6cd-422e-96a4-1b66e5ae7fd3 Environmental → Air → Indoor EF 3.1 kg 2
347ae33f-9977-45d5-abd1-1e56b0a58a3b Environmental → Air → Long-term EF 3.1 kg 0
a9a8eee8-dbe0-4981-b988-58ed4dbc9f84 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
de33a847-c093-4730-99d0-80ec8dee328d Environmental → Air → Unknown EF 3.1 kg 2
d0d99e86-de81-427f-b9ba-5d2579d2fcd6 Environmental → Ground → Agricultural EF 3.1 kg 2
b2a7f4c5-fd8f-488b-ab6a-b09450002e63 Environmental → Ground → Non-agricultural EF 3.1 kg 2
25f96d77-d794-42f1-a8b9-fa67fdeacd45 Environmental → Ground → Unknown EF 3.1 kg 2
83c36874-3266-4fa3-b8ad-b2b763c4d243 Environmental → Water → Long-term EF 3.1 kg 0
26934c26-457c-4faf-bc0d-9068e9007660 Environmental → Water → Ocean EF 3.1 kg 2
e3397a93-c476-4029-b149-6de4513ebc7e Environmental → Water → Surface water EF 3.1 kg 2
9c568a1b-71d7-4551-9ac4-724c531baa7d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-41e8a2f3daea2275",
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    {
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  ],
  "altLabel": [
    {
      "@value": "(7E,9Z)-1-Acetoxydodecadiene",
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      "@value": "trans-7,cis-9-Dodecadienyl acetate",
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}

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