Consensus flow list

Identity

Type
NeutralMolecule
CAS
2705-87-5
EC
220-292-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Allyl 3-cyclohexylpropanoate

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string TWXUTZNBHUWMKJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
IUPAC name chemrof:IUPAC_name Allyl 3-cyclohexylpropanoate
Molecular formula chemrof:molecular_formula C12H20O2
Molecular mass chemrof:molecular_mass 196.29
Monoisotopic mass chemrof:monoisotopic_mass 196.14633
SMILES string chemrof:smiles_string C=CCOC(=O)CCC1CCCCC1

Known URLs

16

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=2705-87-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31188 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.447 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8044755 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184129 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/allyl-cyclohexanepropionate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H4W9H3L241 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040206 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.039B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12306 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12306 enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010775 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48904 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17617 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2383931 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q15726034 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8f047641-8857-42be-b9e9-cad7d8dca449 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0db99610-bac9-4555-8bbd-038a913fde73 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
63c90d6b-a558-41d5-9266-de1d5555451c Environmental → Air → Indoor EF 3.1 kg 4
ac9f6e40-13e7-46f6-9066-b5b55db0e5f9 Environmental → Air → Long-term EF 3.1 kg 0
7c8e0b82-7d01-4079-8821-a911b0336b7b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
089208dd-7208-4e68-b2b9-b2275c91b1a9 Environmental → Air → Unknown EF 3.1 kg 4
f4763826-71be-4063-a202-f233f2eb2524 Environmental → Ground → Agricultural EF 3.1 kg 4
01a04b05-1388-4713-9e48-8ec705bea6aa Environmental → Ground → Non-agricultural EF 3.1 kg 4
e0e17bf3-d3ff-47e2-bca8-ba5399e0b338 Environmental → Ground → Unknown EF 3.1 kg 4
db648a20-d26c-4cc4-b059-bb0bb6148f6f Environmental → Water → Long-term EF 3.1 kg 0
2a2915c2-d46c-4d58-b962-0f90ce9faf2b Environmental → Water → Ocean EF 3.1 kg 4
97007839-3a10-4be2-aa84-5e4f4631e2d7 Environmental → Water → Surface water EF 3.1 kg 4
bb0a101b-d5cb-474a-807f-660044441c93 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-497b3a685f4b6bd0",
  "prefLabel": [
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  ],
  "altLabel": [
    {
      "@value": "2-Propenyl 3-cyclohexylpropanoate",
      "@language": "en",
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    },
    {
      "@value": "2-Propenyl cyclohexanepropionate",
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    {
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