Consensus flow list

Identity

Type
NeutralMolecule
CAS
110-88-3
EC
203-812-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3,5-trioxane

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BGJSXRVXTHVRSN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
IUPAC name chemrof:IUPAC_name 1,3,5-trioxane
Molecular formula chemrof:molecular_formula C3H6O3
Molecular mass chemrof:molecular_mass 90.078
Monoisotopic mass chemrof:monoisotopic_mass 90.03169, 90.031694
SMILES string chemrof:smiles_string C1OCOCO1

Known URLs

18

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=110-88-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38043 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.466 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021925 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26347 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1495792 enrich_references.pubchem_identifier_url
gmelin gmelin:2230 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/46BNU65YNY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244188 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.452J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55757 enrich_references.pubchem_identifier_url
patent patent:CN1978438 enrich_references.chebi_xrefs
ppdb ppdb:2903 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8081 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1325 enrich_references.pubchem_identifier_url
reaxys reaxys:102769 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q424104 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3,5-Trioxane enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
4746c3a1-9468-4029-b489-ba752f69caf8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0ac6e0c1-7c1b-40e0-a4c1-6813efefdb1a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
12e5f08d-70af-4961-9942-910b5e048410 Environmental → Air → Indoor EF 3.1 kg 4
b35e8f2d-d20c-4a0d-a84e-4ed463c95d40 Environmental → Air → Long-term EF 3.1 kg 0
d26eb3e6-ebf8-49df-a447-a70446532d23 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b4a99192-51d3-4a5a-8835-cca184ebdf17 Environmental → Air → Unknown EF 3.1 kg 4
fdf01f8c-d4f1-4c96-81e5-cd516bf4ba86 Environmental → Ground → Agricultural EF 3.1 kg 4
81ecc0bb-92a7-48e2-8a22-1f86fa51d0d6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
eadb0c0b3e5b8583586d7f8eeef8d910398018dd Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f864b564-b854-4bb6-9060-f87c99dc0437 Environmental → Ground → Unknown EF 3.1 kg 4
c190ba2f-d768-4a98-a14e-7f754be5d55c Environmental → Water → Long-term EF 3.1 kg 0
77c9dcd3-7601-42ed-a1ca-187c244a29cc Environmental → Water → Ocean EF 3.1 kg 4
2f5ca23c-ca3b-4bbb-89b2-46ce9114ad77 Environmental → Water → Surface water EF 3.1 kg 4
8f50fab7-8d40-4fe2-af34-80725a4c2784 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
{
  "flow_object_id": "fo-d6561b6dc1b2c251",
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  ],
  "altLabel": [
    {
      "@value": "1,3,5-trioxacyclohexane",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "formaldehyde, trimer",
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      "provenance": {
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    },
    {
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    },
    {
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    {
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    {
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