Consensus flow list

(e)-dodec-8-enyl Acetate

fo-6d40423b9ee4a691

Identity

Type
NeutralMolecule
CAS
38363-29-0
EC
253-904-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (e)-dodec-8-enyl Acetate

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

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SUCYDSJQVVGOIW-AATRIKPKSA-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 (e)-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

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=38363-29-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179343 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.987 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.4515607.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5035294 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0JM5ZAB30X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.758A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J688B enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010227 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010227 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3872 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5363237 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236867 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
78a28cab-91d3-409d-9278-cbb4079e3477 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a3dc038e-d003-4844-85c8-007631a221ae Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aee3801f-513a-4d0e-a273-c553eb2e5dfc Environmental → Air → Indoor EF 3.1 kg 2
6f2a4c57-55d4-45ca-af63-408f372742e6 Environmental → Air → Long-term EF 3.1 kg 0
d31ce746-d3a7-4181-a3bc-509a9e303f8c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
94081a5d-1765-45cb-b065-70acdc09d563 Environmental → Air → Unknown EF 3.1 kg 2
ef37f83e-db85-45cb-a289-1754db3b0c06 Environmental → Ground → Agricultural EF 3.1 kg 2
e215ef0a-f3dd-44f5-9e4d-1ef81dc1daee Environmental → Ground → Non-agricultural EF 3.1 kg 2
943e217d-37b2-45b9-8f7c-6453c64e23bb Environmental → Ground → Unknown EF 3.1 kg 2
0d8cd61d-fd4d-49a3-9990-7677314e99ce Environmental → Water → Long-term EF 3.1 kg 0
165e3061-9104-49c7-898f-e8de9ec38f13 Environmental → Water → Ocean EF 3.1 kg 2
645aba80-d532-4879-99d7-580c1880e0b0 Environmental → Water → Surface water EF 3.1 kg 2
d9b102fe-2dd2-4420-8c2a-a28b1bd0abcf 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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