Consensus flow list

Identity

Type
NeutralMolecule
CAS
5328-01-8
EC
226-213-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 1-Ethoxynaphthalene

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string APWZAIZNWQFZBK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
IUPAC name chemrof:IUPAC_name 1-Ethoxynaphthalene
Molecular formula chemrof:molecular_formula C12H12O
Molecular mass chemrof:molecular_mass 172.227
Monoisotopic mass chemrof:monoisotopic_mass 172.088815, 172.08882
SMILES string chemrof:smiles_string CCOc1cccc2ccccc12

Known URLs

10

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=5328-01-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:167813 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.830 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.20115.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30201402 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4174 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KPT9T4S9QZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J102.377B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21403 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72471828 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
97bf38a9-fced-41dd-8a80-0226282b3acd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fd37418e-3517-4fd1-94d0-223022be9821 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
528cc3c2-3781-4ebe-9551-80457d80cc99 Environmental → Air → Indoor EF 3.1 kg 2
daec3f7c-1ed7-40b4-8e52-73e7e824a156 Environmental → Air → Long-term EF 3.1 kg 0
e8844141-4488-433f-9a22-5dc476cc9bdc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e7f22bef-0923-4362-9413-9ceaa612a931 Environmental → Air → Unknown EF 3.1 kg 2
f2eaceff-6366-4b44-93a4-b1252923efa7 Environmental → Ground → Agricultural EF 3.1 kg 2
53c4aa87-f299-4470-b1c8-d156f3108589 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2db3c3dd-0526-4c41-843d-00dc91ede6c9 Environmental → Ground → Unknown EF 3.1 kg 2
7b0d2638-64c4-4083-b9af-64a3cca34125 Environmental → Water → Long-term EF 3.1 kg 0
fe12b4f1-37b1-48c1-b963-56f8ddaa8a80 Environmental → Water → Ocean EF 3.1 kg 2
449b0723-0bf0-4403-8210-b705f92f13d3 Environmental → Water → Surface water EF 3.1 kg 2
06391637-0160-4399-b5ca-2cd5f7295fcc 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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  "altLabel": [
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      "@language": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Ethyl α-naphthyl ether",
      "@language": "en",
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    },
    {
      "@value": "Naphthalene, 1-ethoxy-",
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