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Salicylaldehyde

fo-f37a5f8785febdf5

Identity

Type
Neutral molecule
CAS
90-02-8
EC
201-961-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Salicylaldehyde

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
nematicide CHEBI:25491 A substance used to destroy pests of the phylum Nematoda (roundworms). 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

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SMQUZDBALVYZAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
IUPAC name chemrof:IUPAC_name Salicylaldehyde
Molecular formula chemrof:molecular_formula C7H6O2
Molecular mass chemrof:molecular_mass 122.123
Monoisotopic mass chemrof:monoisotopic_mass 122.036779, 122.03678
SMILES string chemrof:smiles_string O=Cc1ccccc1O

Known URLs

30

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=28777-87-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29734-89-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=90-02-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16008 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.783 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021792 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=187662 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49178 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108925 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/salicylaldehyde enrich_references.pubchem_identifier_url
gmelin gmelin:3273 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/17K64GZH20 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034170 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.607K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.808.468B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06202 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06202 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46396 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=SALICYLALDEHYDE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:NK enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/NUCH8RWMTFHC enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6998 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017916 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18247142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23379671 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23715243 enrich_references.chebi_xrefs
reaxys reaxys:471388 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0337 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q414492 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Salicylaldehyde enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
439e6b2a-9a43-4d98-9093-203d82963cab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d9aa4dfb-b1da-4967-86fd-1972c0b563ee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
87de90b6-a72a-4e2b-9c36-23773cfe5a50 Environmental → Air → Indoor EF 3.1 kg 2
54d1f50c-9eb8-4121-9967-d3454081d673 Environmental → Air → Long-term EF 3.1 kg 0
4375a78e-6d8e-4428-9f95-b36c1f8708bd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bee7e478-40d9-4978-a8ef-00bce3108273 Environmental → Air → Unknown EF 3.1 kg 2
cf564067-e7ca-4499-90bf-c766dd9ae8ea Environmental → Ground → Agricultural EF 3.1 kg 2
aa76486f-542b-49b6-a956-0c1ba176079e Environmental → Ground → Non-agricultural EF 3.1 kg 2
e2f475fa-1358-41ad-b3b3-1339edbe5523 Environmental → Ground → Unknown EF 3.1 kg 2
679d0f65-b701-451d-8c57-7535b93a3e7c Environmental → Water → Long-term EF 3.1 kg 0
7709bec9-cccb-4c70-b58b-c027168c4788 Environmental → Water → Ocean EF 3.1 kg 2
3a2bdab1-4f1d-4357-a4cc-acda2ce1e2b8 Environmental → Water → Surface water EF 3.1 kg 2
3a46f7d5-b6ba-48cd-a1e2-8b08c98753f1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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