Consensus flow list

(z)-2-butene-1,4-diol

fo-6e99a4d1c5d91c34

Identity

Type
NeutralMolecule
CAS
6117-80-2
EC
228-085-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (z)-2-butene-1,4-diol

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

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ORTVZLZNOYNASJ-UPHRSURJSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
Isomeric SMILES string chemrof:isomeric_smiles_string OC/C=C\CO
IUPAC name chemrof:IUPAC_name (z)-2-butene-1,4-diol
Molecular formula chemrof:molecular_formula C4H8O2
Molecular mass chemrof:molecular_mass 88.106
Monoisotopic mass chemrof:monoisotopic_mass 88.052429
SMILES string chemrof:smiles_string OCC=CCO

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=6117-80-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.532 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301018106 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1260 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=976 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZA7VGU6SCV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.373G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/643790 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295224 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5b327c38-4bcd-46c2-85c9-fb3eb145c789 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c01e0876-2c22-4322-8130-05af1c7456fc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1987ced4-66cc-4c55-a120-b31d95ce7427 Environmental → Air → Indoor EF 3.1 kg 4
dc6a11ae-dfad-4a54-b722-9ab1bc004fce Environmental → Air → Long-term EF 3.1 kg 0
c0cd6b3f-07b5-422d-8d24-7ac14b43c986 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7acb7342-440f-475b-8339-d396bc5284ab Environmental → Air → Unknown EF 3.1 kg 4
f5f3a165-ab50-4290-8605-e7764d198c20 Environmental → Ground → Agricultural EF 3.1 kg 4
7c70a85b-14f1-4100-9754-546552ecd4eb Environmental → Ground → Non-agricultural EF 3.1 kg 4
4f2a0435-de2e-4b6c-980e-f92efc991f2a Environmental → Ground → Unknown EF 3.1 kg 4
43f50259-f5df-4dc4-80aa-79ef04147c7c Environmental → Water → Long-term EF 3.1 kg 0
11d0ef7d-5452-49d0-93de-50dc998b3919 Environmental → Water → Ocean EF 3.1 kg 4
74684187-98d3-4483-867f-a7ba495d445d Environmental → Water → Surface water EF 3.1 kg 4
40ba3e04-fc91-4945-89c4-f818def0991e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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