Consensus flow list

Identity

Type
Neutral molecule
CAS
828-00-2
EC
212-579-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dimethoxane

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PHMNXPYGVPEQSJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name (2,6-Dimethyl-1,3-dioxan-4-yl) acetate
Molecular formula chemrof:molecular_formula C8H14O4
Molecular mass chemrof:molecular_mass 174.196
Monoisotopic mass chemrof:monoisotopic_mass 174.089209, 174.08921
SMILES string chemrof:smiles_string CC(=O)OC1CC(C)OC(C)O1

Known URLs

11

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=828-00-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82450 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.436 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020480 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1484947 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S0859MSI8I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.122K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19402 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19402 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13232 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26840787 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
172ad9f8-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9e8b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ea098f06-a229-48b7-bbac-0b92482f5df0 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9639-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e8c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9638-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9636-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9e90-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9637-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9e8e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e91-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9e8d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9e8f-0050c2490048 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-6e1621be0614cd29",
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