Consensus flow list

Isopropenyl Acetate

fo-c32de522679c7b3c

Identity

Type
Neutral molecule
CAS
108-22-5
EC
203-562-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isopropenyl Acetate

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HETCEOQFVDFGSY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
IUPAC name chemrof:IUPAC_name Isopropenyl Acetate
Molecular formula chemrof:molecular_formula C5H8O2
Molecular mass chemrof:molecular_mass 100.117
Monoisotopic mass chemrof:monoisotopic_mass 100.052429, 100.05243
SMILES string chemrof:smiles_string C=C(C)OC(C)=O

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=108-22-5 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=24980-56-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173340 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.239 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7628.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3031492 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2197 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8262 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1385681 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/isopropenyl-acetate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4AR9LAS337 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032351 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.907F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45451 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7916 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2403 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27259352 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isopropenyl_acetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
14073dad-ece9-4659-b0f1-810b5abd7849 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2e128690-c5a8-45a7-ac4b-d7a5b61c2cea Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7b33f251-945e-4a97-92fe-26c70e619ad6 Environmental → Air → Indoor EF 3.1 kg 4
50b9c6ba-3af0-48de-90b9-ddd6a8efd005 Environmental → Air → Long-term EF 3.1 kg 0
705c8599-31ec-4f8f-a927-8518c87aca55 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9308647d-aebc-4fd8-a658-8fd8c551fb13 Environmental → Air → Unknown EF 3.1 kg 4
311ee9e1-3889-4ff1-9e5c-5019036fd8dc Environmental → Ground → Agricultural EF 3.1 kg 4
a6b5cf1c-0068-4cd6-b3bd-8dc4a1adab57 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c616ad96-c1eb-4f4f-9544-0b10569190b9 Environmental → Ground → Unknown EF 3.1 kg 4
75744d13-654f-4e2f-888d-f317817c3482 Environmental → Water → Long-term EF 3.1 kg 0
d6497858-4641-47ba-8bd5-11b668b9a619 Environmental → Water → Ocean EF 3.1 kg 4
5c77e51e-9f24-4bc9-936f-dacf36143065 Environmental → Water → Surface water EF 3.1 kg 4
d3b0df7f-9fda-40f9-a3a1-4495f55bfb92 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 
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