Consensus flow list

Identity

Type
NeutralMolecule
CAS
764-99-8
EC
212-133-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-[oxybis(ethane-2,1-diyloxy)]diethene

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SAMJGBVVQUEMGC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2
IUPAC name chemrof:IUPAC_name 1,1'-[oxybis(ethane-2,1-diyloxy)]diethene
Molecular formula chemrof:molecular_formula C8H14O3
Molecular mass chemrof:molecular_mass 158.197
Monoisotopic mass chemrof:monoisotopic_mass 158.094294
SMILES string chemrof:smiles_string C=COCCOCCOC=C

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=25215-94-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=764-99-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.030 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6044985 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6117 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183169 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ABM90Y2G95 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.760D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12998 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27273849 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cf4858b3-4c76-4ff1-8550-57327f6ac5fc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d8cbf8da-0a47-4ed7-831e-5a0e776bfacb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
49759f3c-93f9-47ad-9936-ea79858fcea4 Environmental → Air → Indoor EF 3.1 kg 4
3e836590-4c39-404c-a1c5-5d7bc65cf4c5 Environmental → Air → Long-term EF 3.1 kg 0
d730165c-4516-45a1-8e10-d93bfb67f5e6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fcf26f58-45f2-4630-a124-155d398e1f36 Environmental → Air → Unknown EF 3.1 kg 4
54733fc7-ca7b-4115-863b-93141e2ed727 Environmental → Ground → Agricultural EF 3.1 kg 4
5de5afdd-bb8c-44f4-8c1e-a30683051532 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d416bd15-13fd-47b0-b1cb-2bdda528e91a Environmental → Ground → Unknown EF 3.1 kg 4
54a1146c-a020-4e4d-9f04-d6755dc895dc Environmental → Water → Long-term EF 3.1 kg 0
54c78da6-350f-46f8-bb27-0a1f0202029e Environmental → Water → Ocean EF 3.1 kg 4
b0db7d5d-9944-4fd2-a6ca-b00dcfa4880d Environmental → Water → Surface water EF 3.1 kg 4
a08c0907-f014-4cd9-afe6-b9fa8a4bc570 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
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  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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