Consensus flow list

(4z)-hept-4-en-2-yl Salicylate

fo-0a3ccfa3a89bb85a

Identity

Type
NeutralMolecule
CAS
873888-84-7
EC
700-488-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (4z)-hept-4-en-2-yl Salicylate

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

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AWFJMMINHWORIB-PLNGDYQASA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H18O3/c1-3-4-5-8-11(2)17-14(16)12-9-6-7-10-13(12)15/h4-7,9-11,15H,3,8H2,1-2H3/b5-4-
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C\CC(C)OC(=O)c1ccccc1O
IUPAC name chemrof:IUPAC_name (4z)-hept-4-en-2-yl Salicylate
Molecular formula chemrof:molecular_formula C14H18O3
Molecular mass chemrof:molecular_mass 234.295
Monoisotopic mass chemrof:monoisotopic_mass 234.125594
SMILES string chemrof:smiles_string CCC=CCC(C)OC(=O)c1ccccc1O

Known URLs

5

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=873888-84-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.350 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70889223 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67480918 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82869037 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e9a93b6e-41d9-47d7-9873-161f9c3524e6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
511a6d95-3376-46d7-bdb2-8168de43f762 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
08cc7a5b-24f9-4276-9486-b946c791e7db Environmental → Air → Indoor EF 3.1 kg 2
d65f1ffc-076f-49fa-8a0f-a640b5a4469a Environmental → Air → Long-term EF 3.1 kg 0
cfa596c0-834a-4af8-877c-fb91de8dd57b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bf68bc91-fae6-4886-9789-c65057020772 Environmental → Air → Unknown EF 3.1 kg 2
6539a44f-bda2-4225-be50-9f0ef22d49c9 Environmental → Ground → Agricultural EF 3.1 kg 2
8636b302-4673-40f6-8589-d8d4b4b11972 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5b760b37-ef8b-432d-9b04-343a1f5d50d5 Environmental → Ground → Unknown EF 3.1 kg 2
e92db33b-53e5-43d0-9b33-0e5eced2b1ae Environmental → Water → Long-term EF 3.1 kg 0
2f6bf84d-2f42-414c-9335-80e8b88e9982 Environmental → Water → Ocean EF 3.1 kg 2
ac6adff8-33d1-4d57-90ce-4c658c85eb4f Environmental → Water → Surface water EF 3.1 kg 2
d9defd66-b633-473e-ad7b-aa122e460278 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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  "altLabel": [
    {
      "@value": "(3Z)-1-Methyl-3-hexen-1-yl 2-hydroxybenzoate",
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    },
    {
      "@value": "(Z)-4-Hepten-2-yl salicylate",
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    {
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}

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