Consensus flow list

(e)-5-decenylacetate

fo-aed3cc21114e35f8

Identity

Type
NeutralMolecule
CAS
38421-90-8
EC
253-923-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (e)-5-decenylacetate

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

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VTUFOIHYMMMNOM-VOTSOKGWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3/b7-6+
Isomeric SMILES string chemrof:isomeric_smiles_string CCCC/C=C/CCCCOC(C)=O
IUPAC name chemrof:IUPAC_name [(E)-dec-5-enyl] acetate
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 CCCCC=CCCCCOC(C)=O

Known URLs

13

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=38421-90-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179186 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.004 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.4515487.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0035295 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7NJ786556E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J118.252H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J689K enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010203 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010203 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3848 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5363095 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27268613 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38169387-2578-40e4-a328-8d5fcfe5a452 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
24277efc-f6d4-45d2-8225-9d10fcd9aab0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0e7d3e7e-ceb8-421f-b05c-967566c962cf Environmental → Air → Indoor EF 3.1 kg 2
3f5ab555-c6d2-4154-a84e-37d8a77a0748 Environmental → Air → Long-term EF 3.1 kg 0
9fd43c41-b244-4914-9144-ad20f98692b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5bd98e13-4de7-41cf-98cc-c179f7920de7 Environmental → Air → Unknown EF 3.1 kg 2
6656ed93-ba0c-4e6a-ac5f-f4eb2ff0fd7d Environmental → Ground → Agricultural EF 3.1 kg 2
8bc7fccc-9262-459e-a9c5-92199bb6c54d Environmental → Ground → Non-agricultural EF 3.1 kg 2
bd37a753-feaa-43f2-91ed-34113b73871c Environmental → Ground → Unknown EF 3.1 kg 2
69bce594-3f05-461f-a64c-fcabebf28a8c Environmental → Water → Long-term EF 3.1 kg 0
c6b235e5-320f-4fc0-8d92-ce11f904b136 Environmental → Water → Ocean EF 3.1 kg 2
c97be1a4-1f77-4c03-9006-f24f9d286109 Environmental → Water → Surface water EF 3.1 kg 2
3899d05d-e75b-497e-99dc-ca2b24f928b7 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 
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