Consensus flow list

Allyl Heptanoate

fo-f9359ac753e837ce

Identity

Type
Neutral molecule
CAS
142-19-8
EC
205-527-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Allyl Heptanoate

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SJWKGDGUQTWDRV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
IUPAC name chemrof:IUPAC_name Allyl Heptanoate
Molecular formula chemrof:molecular_formula C10H18O2
Molecular mass chemrof:molecular_mass 170.252
Monoisotopic mass chemrof:monoisotopic_mass 170.13068
SMILES string chemrof:smiles_string C=CCOC(=O)CCCCCC

Known URLs

17

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=142-19-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:180216 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.025 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.8540.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3044754 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20969 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2268885 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/allyl-heptanoate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AU4CYG9V68 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040208 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.956J enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010746 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010746 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48906 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8878 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2383533 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q10286055 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5b488c93-b7f1-435c-a48e-668c9770f784 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b303ed2-a2d8-46ad-a363-3447af721726 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6ae18dbc-7af2-43ad-a892-227e5f44ea62 Environmental → Air → Indoor EF 3.1 kg 4
d810e0ed-f88e-4995-bc0a-53fdb2dec0b6 Environmental → Air → Long-term EF 3.1 kg 0
5d0c5b4f-31f5-4f06-80ab-9c7be1350df8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ae7b8853-c242-41ef-886b-9342b2571d1b Environmental → Air → Unknown EF 3.1 kg 4
4d42f22a-b74e-4889-927e-d47298f689c3 Environmental → Ground → Agricultural EF 3.1 kg 4
49a3b136-348b-4686-9152-acf50148c289 Environmental → Ground → Non-agricultural EF 3.1 kg 4
13acb125-484b-4a78-b011-d96e34a79aa4 Environmental → Ground → Unknown EF 3.1 kg 4
9199691e-6879-447e-ba9e-f87d315219ee Environmental → Water → Long-term EF 3.1 kg 0
7052831e-ead7-4440-826e-b810c571b3de Environmental → Water → Ocean EF 3.1 kg 4
1982e54e-e82a-4094-bc75-a1b3bcb72f63 Environmental → Water → Surface water EF 3.1 kg 4
c1f313de-34fa-4f07-8950-c2ea20f98213 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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