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Cuminaldehyde

fo-f417a91aab5a5495

Identity

Type
Neutral molecule
CAS
122-03-2
EC
204-516-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Cuminaldehyde

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

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WTWBUQJHJGUZCY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name Cuminaldehyde
Molecular formula chemrof:molecular_formula C10H12O
Molecular mass chemrof:molecular_mass 148.205
Monoisotopic mass chemrof:monoisotopic_mass 148.088815, 148.08882
SMILES string chemrof:smiles_string CC(C)c1ccc(C=O)cc1

Known URLs

26

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=122-03-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28671 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.107 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021974 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4886 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL161577 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/cuminaldehyde enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O0893NC35F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002214 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.347C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06577 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06577 enrich_references.pubchem_identifier_url
knapsack knapsack:C00003039 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38081 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-1003 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/326 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=584734 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21338771 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22746406 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23507295 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23564737 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23865423 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24507878 enrich_references.chebi_xrefs
reaxys reaxys:636547 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q419952 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cuminaldehyde enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4aad50c1-5a8e-4666-be10-1becd893f693 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
06a1073c-91aa-42e1-863a-6dc61e74a60a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c035db77-65af-40d9-b4ea-914f2fe52ab3 Environmental → Air → Indoor EF 3.1 kg 2
b397cba1-b9aa-4b91-8943-7b47f2955fde Environmental → Air → Long-term EF 3.1 kg 0
c2e85228-32f3-47ea-9800-f1861bf1453f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b8ece445-4707-4c15-b0b2-ac96b05fa26c Environmental → Air → Unknown EF 3.1 kg 2
f84cafc2-91b6-4c2f-89a3-849a5c7e0ead Environmental → Ground → Agricultural EF 3.1 kg 2
b10ed180-0dff-463c-ae6e-a3e64c710826 Environmental → Ground → Non-agricultural EF 3.1 kg 2
aeda9288-a52d-4f19-9dda-5661a2aab797 Environmental → Ground → Unknown EF 3.1 kg 2
ac9e2135-4082-41f6-b6a8-a3bbca9098fb Environmental → Water → Long-term EF 3.1 kg 0
77be3b62-ce93-4108-846c-b4902eb0b03d Environmental → Water → Ocean EF 3.1 kg 2
2c4f20c4-2739-43cc-b034-1ddfac1520a6 Environmental → Water → Surface water EF 3.1 kg 2
f9b968bc-69a1-475f-a104-b8fa38b2d52d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
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