Consensus flow list

[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] Bis (z-2-butenedioic Acid Mono Ester)

fo-9f7aa461b0cecf80

Identity

Type
Neutral molecule
CAS
109828-01-5
EC
806-734-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for [2-[2-(2-hydroxyethoxy)ethoxy]ethyl] Bis (z-2-butenedioic Acid Mono Ester)

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

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JWAZLOQEHBHDGM-CCAGOZQPSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H18O10/c15-11(16)1-3-13(19)23-9-7-21-5-6-22-8-10-24-14(20)4-2-12(17)18/h1-4H,5-10H2,(H,15,16)(H,17,18)/b3-1-,4-2-
Isomeric SMILES string chemrof:isomeric_smiles_string O=C(O)/C=C\C(=O)OCCOCCOCCOC(=O)/C=C\C(=O)O
IUPAC name chemrof:IUPAC_name (2Z,16Z)-4,15-Dioxo-5,8,11,14-tetraoxaoctadeca-2,16-dienedioic acid
Molecular formula chemrof:molecular_formula C14H18O10
Molecular mass chemrof:molecular_mass 346.288
Monoisotopic mass chemrof:monoisotopic_mass 346.089997
SMILES string chemrof:smiles_string O=C(O)C=CC(=O)OCCOCCOCCOC(=O)C=CC(=O)O

Known URLs

4

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=109828-01-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.233.965 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001162584 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87217090 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
e3b72b71-ca57-4a55-827d-81e59bc699f8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bd0687be-7680-48a4-8fc5-d821d98b89ec Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0da75722-2334-4d08-930e-7215cf4ccf20 Environmental → Air → Indoor EF 3.1 kg 2
cf082952-262d-4ccf-b113-f01e907aa753 Environmental → Air → Long-term EF 3.1 kg 0
b6a8b1b3-1601-4e34-a2d3-6eb8719cb42f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dcad6567-e40f-4f82-9fd4-203f3ef32a0f Environmental → Air → Unknown EF 3.1 kg 2
0910524e-3929-4cba-b343-fd7fb54c13f6 Environmental → Ground → Agricultural EF 3.1 kg 2
4dc332a7-01cd-43d0-9dd5-748056fe8889 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8423295a-ced3-442d-89c3-11aa8e1d3811 Environmental → Ground → Unknown EF 3.1 kg 2
719aa4b3-2992-4492-955b-1aa0dfffddbd Environmental → Water → Long-term EF 3.1 kg 0
d968e3c6-ab97-4e9b-b728-b0143914965b Environmental → Water → Ocean EF 3.1 kg 2
e489851d-26a0-4a28-baf7-dec4e0c32b46 Environmental → Water → Surface water EF 3.1 kg 2
3d48a7d2-360f-41c6-83e6-dde2a8119925 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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}

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