Consensus flow list

Allyl Hexanoate

fo-e3a1ee476bd6def9

Identity

Type
Neutral molecule
CAS
123-68-2
EC
204-642-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Allyl Hexanoate

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RCSBILYQLVXLJG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
IUPAC name chemrof:IUPAC_name Allyl Hexanoate
Molecular formula chemrof:molecular_formula C9H16O2
Molecular mass chemrof:molecular_mass 156.225
Monoisotopic mass chemrof:monoisotopic_mass 156.11503
SMILES string chemrof:smiles_string C=CCOC(=O)CCCCC

Known URLs

19

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=123-68-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:171771 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.222 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.29006.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1047653 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20962 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2229585 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/allyl-hexanoate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3VH84A363D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040210 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.964K enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010747 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010747 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48907 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31266 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=005096 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1807113 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3270746 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Allyl_hexanoate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a47d50d7-2cfe-4f8d-9c23-60132fb7075f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
66a6e33a-6cd1-4959-abf9-7607b253aa8a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ba65dcc4-fdcc-4074-9eec-ef806ccd6207 Environmental → Air → Indoor EF 3.1 kg 2
5698fad6-124a-4326-9c89-a07864a29165 Environmental → Air → Long-term EF 3.1 kg 0
05421410-572a-4ad2-8c2a-bede47052071 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2ee44a10-f783-47cc-9531-66236534d122 Environmental → Air → Unknown EF 3.1 kg 2
cf00682f-ab3a-4036-a1b0-985dae8e56bb Environmental → Ground → Agricultural EF 3.1 kg 2
8a4fdee4-33d5-41fd-8287-0ead57d34a32 Environmental → Ground → Non-agricultural EF 3.1 kg 2
84a228ce-ee35-4102-8223-53619a3eccfc Environmental → Ground → Unknown EF 3.1 kg 2
d8454cdb-760e-4150-b0a1-24c920fde0fb Environmental → Water → Long-term EF 3.1 kg 0
b03c0136-83ee-48d3-8ea2-fb63c89ddf3e Environmental → Water → Ocean EF 3.1 kg 2
3076c3ee-56d8-4ec9-a074-d0add5665483 Environmental → Water → Surface water EF 3.1 kg 2
39ff022a-76da-4ecf-a3fd-ce9aa79e98ff 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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