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4-methoxybenzaldehyde

fo-c64c64a537d9c5c0

Identity

Type
Neutral molecule
CAS
123-11-5
EC
204-602-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-methoxybenzaldehyde

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZRSNZINYAWTAHE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
IUPAC name chemrof:IUPAC_name 4-methoxybenzaldehyde
Molecular formula chemrof:molecular_formula C8H8O2
Molecular mass chemrof:molecular_mass 136.15
Monoisotopic mass chemrof:monoisotopic_mass 136.052429, 136.05243
SMILES string chemrof:smiles_string COc1ccc(C=O)cc1

Known URLs

34

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=123-11-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28235 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.185 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.702 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026997 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5590 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL161598 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/p-methoxybenzaldehyde enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9PA5V6656V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029686 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2912.49.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.618H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10761 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10761 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002636 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43983 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31244 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=046385 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20809147 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22502535 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22610435 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24817361 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27081359 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27333544 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28190358 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28534578 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28846628 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28892803 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29029251 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29029346 enrich_references.chebi_xrefs
reaxys reaxys:471382 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q174937 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Anisaldehyde enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Anisaldehyde enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
6b055985-336f-4300-b718-9b9ecb036d46 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a86908cd-9125-4d0d-b7a4-198ef4c6b33a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
276b4fff-9e08-43f2-9796-6dd2b7caa481 Environmental → Air → Indoor EF 3.1 kg 4
f4f0bcca-3937-4d43-869d-da8127659aff Environmental → Air → Long-term EF 3.1 kg 0
4d884a9f-733b-42b4-af69-314a2276ba4d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ebb4aa00-ab7f-44b1-b354-1ab7d2820555 Environmental → Air → Unknown EF 3.1 kg 4
35e82309-3f7d-4b90-b997-e72840226248 Environmental → Ground → Agricultural EF 3.1 kg 4
5c60a70d-687d-4596-92a8-0a6059c38b3a Environmental → Ground → Non-agricultural EF 3.1 kg 4
1032bb35-a10f-4487-be29-1edc98a387c2 Environmental → Ground → Unknown EF 3.1 kg 4
0e1033eb-9fc5-480a-a424-87b74c88faf1 Environmental → Water → Long-term EF 3.1 kg 0
c3de2517-e9fe-47ea-adb4-8ac959f9cb9d Environmental → Water → Ocean EF 3.1 kg 4
b27a75f2-498a-4bca-9093-49578f10309e Environmental → Water → Surface water EF 3.1 kg 4
8845f2a6-6835-49f6-a399-5523c65c19a6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c64c64a537d9c5c0",
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    {
      "@value": "4-methoxybenzaldehyde",
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  "altLabel": [
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    },
    {
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    },
    {
      "@value": "Anisal",
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    },
    {
      "@value": "p-Formylanisole",
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    },
    {
      "@value": "Para-Anisaldehyde",
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