Consensus flow list

Identity

Type
Neutral molecule
CAS
59130-69-7
EC
261-619-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexadecyl 2-ethylhexanoate

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XJNUECKWDBNFJV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
IUPAC name chemrof:IUPAC_name Hexadecyl 2-ethylhexanoate
Molecular formula chemrof:molecular_formula C24H48O2
Molecular mass chemrof:molecular_mass 368.646
Monoisotopic mass chemrof:monoisotopic_mass 368.365431
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC

Known URLs

12

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=59130-69-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.055.999 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.083.101 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20866741 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11349 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/134647WMX4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J308.627E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152572 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/42956 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1306178 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1314340 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27251471 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3c37aee9-d332-4d18-b873-a5026aa28b5e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
44b400ac-ec50-4de9-b484-2bbeb3568796 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
34fea237-fc02-4af4-8151-71e0beb0b898 Environmental → Air → Indoor EF 3.1 kg 4
f6fad6d9-7907-49a8-9970-efe9ecdc0e64 Environmental → Air → Long-term EF 3.1 kg 0
78dc36ee-7ea5-4500-a893-9039451c1400 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d7e6cc97-56b5-456f-98a0-5861a08c16a3 Environmental → Air → Unknown EF 3.1 kg 4
7aa5412d-00ed-40f7-8b9c-c0be726cbe2f Environmental → Ground → Agricultural EF 3.1 kg 4
c84d493c-ddff-4e74-b833-78efb3adac5e Environmental → Ground → Non-agricultural EF 3.1 kg 4
1bc1bd50-5f67-433e-9174-3189c4f61906 Environmental → Ground → Unknown EF 3.1 kg 4
9d2577d0-b7e9-43e7-b795-247442283574 Environmental → Water → Long-term EF 3.1 kg 0
12f174e5-b8b6-4bb5-b0c4-7b8d290677d2 Environmental → Water → Ocean EF 3.1 kg 4
63290253-aa57-4e08-8745-8b41328a7b24 Environmental → Water → Surface water EF 3.1 kg 4
8599d7da-9dd6-4a7e-bd3c-9c21e46a378d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexanoic acid hexadecyl ester",
      "@language": "en",
      "@lang": "en",
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      "@value": "CEH",
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      }
    },
    {
      "@value": "Cetearyl Ethylhexanoate",
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    {
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    {
      "@value": "Tegosoft CO",
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      "@value": "Telcol",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C24H48O2"
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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