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2-ethylhexyl Salicylate

fo-01952800e812cebb

Identity

Type
Neutral molecule
CAS
118-60-5
EC
204-263-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-ethylhexyl Salicylate

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FMRHJJZUHUTGKE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl Salicylate
Molecular formula chemrof:molecular_formula C15H22O3
Molecular mass chemrof:molecular_mass 250.338
Monoisotopic mass chemrof:monoisotopic_mass 250.15689, 250.156895
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)c1ccccc1O

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=118-60-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88639 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.877 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040734 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11062 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4241 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4241 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46151 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1329203 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4X49Y0596W enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061839 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J82.395C enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05226 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123318 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77134 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8364 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/14617432 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16956469 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18498482 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18966155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18967342 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20233542 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/91327 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27160526 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Ethylhexyl_salicylate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ca3b3707-b8a2-4443-bebb-61c743b8207f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
73dcaf84-3493-4299-bc84-e92c5abfe6f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
40e344c7-de21-44f6-92a7-d78af5e2e5d5 Environmental → Air → Indoor EF 3.1 kg 4
e88ceace-ced7-432d-8260-20b10287b583 Environmental → Air → Long-term EF 3.1 kg 0
335404c0-8cfa-4c8b-ac14-548795c1f083 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0870316e-d677-4c4b-b755-053b6c4831ea Environmental → Air → Unknown EF 3.1 kg 4
a8cfb8ca-0523-45ff-8189-6a20cf8787f8 Environmental → Ground → Agricultural EF 3.1 kg 4
22c1ca7c-ad1d-4f04-8b93-002a72a58a97 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e3861a58-f86e-4c29-baa9-9394bcc7e4f0 Environmental → Ground → Unknown EF 3.1 kg 4
7ee30b86-94a5-4735-948c-6c07ef05fcd6 Environmental → Water → Long-term EF 3.1 kg 0
0a7e0a73-f7a0-4a80-b477-e0849fe8b85f Environmental → Water → Ocean EF 3.1 kg 4
d21a89ef-f5f4-4882-93cd-e49e6ba7b3f7 Environmental → Water → Surface water EF 3.1 kg 4
f6f3e314-0869-4222-b8e8-b1a27d3974c6 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 
{
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