Consensus flow list

Identity

Type
Neutral molecule
CAS
4511-42-6
EC
224-832-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,6-dimethyl-1,4-dioxane-2,5-dione

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JJTUDXZGHPGLLC-IMJSIDKUSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H]1OC(=O)[C@H](C)OC1=O
IUPAC name chemrof:IUPAC_name (3S,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dione
Molecular formula chemrof:molecular_formula C6H8O4
Molecular mass chemrof:molecular_mass 144.126
Monoisotopic mass chemrof:monoisotopic_mass 144.042259
SMILES string chemrof:smiles_string CC1OC(=O)C(C)OC1=O

Known URLs

9

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=33135-50-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4511-42-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.576 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5049655 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB19115 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IJ13TO4NO1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.826A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/107983 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q24757824 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5598f1b4-4429-48a7-ae96-33abdda43167 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0bbc48d2-0bf8-4684-b03a-184133a01c7c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1c1f67b6-b7f9-4b23-a41a-bbd732b8f41f Environmental → Air → Indoor EF 3.1 kg 2
7a0c89bd-af86-4a9c-8369-ff1c9ee1b2c7 Environmental → Air → Long-term EF 3.1 kg 0
b3461177-7f92-4ca1-80c3-17a821a71bc3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9ae56956-b3f7-4bfe-bd48-2ab4270ac841 Environmental → Air → Unknown EF 3.1 kg 2
d92b9b43-7930-44c5-b69d-9e6ca789c645 Environmental → Ground → Agricultural EF 3.1 kg 2
955c10b0-07cd-4408-b20c-e9568035789d Environmental → Ground → Non-agricultural EF 3.1 kg 2
e078a6ea-c14e-422e-ae54-3ff60ca5301f Environmental → Ground → Unknown EF 3.1 kg 2
c22c2e2a-bfe5-4aa4-96e4-452ee9405313 Environmental → Water → Long-term EF 3.1 kg 0
31a0117e-c8e1-4e7d-ac9b-dac56b218da2 Environmental → Water → Ocean EF 3.1 kg 2
def10e78-ff5c-4efa-ab3e-a362060ef034 Environmental → Water → Surface water EF 3.1 kg 2
160ecb11-71e5-48cd-8d99-6f6fe8238b55 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e28f009b328f5619",
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    {
      "@value": "Puralact B 3",
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    {
      "@value": "PuraLact L",
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    {
      "@value": "Purasorb L",
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