Consensus flow list

Identity

Type
Neutral molecule
CAS
29590-42-9
EC
249-707-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Reaction Products Of 2-propenoic Acid With Alcohols , C7-9 Iso, C8 Rich

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DXPPIEDUBFUSEZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3
IUPAC name chemrof:IUPAC_name 2-Propenoic acid, isooctyl ester
Molecular formula chemrof:molecular_formula C11H20O2
Molecular mass chemrof:molecular_mass 184.279
Monoisotopic mass chemrof:monoisotopic_mass 184.14633
SMILES string chemrof:smiles_string C=CC(=O)OCCCCCC(C)C

Known URLs

10

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=29590-42-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.174 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1743 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00274047 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1877930 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GU1V16S82F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J99.451K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/165746 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27279281 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
869f0230-6450-49b9-a208-7448d19d6281 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e3406773-b209-4f37-920f-3c3affb45858 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1385e595-f406-4441-a942-9fe29d60492d Environmental → Air → Indoor EF 3.1 kg 4
2f27e5d2-cdd6-4b12-ae07-9c37f3bd1e92 Environmental → Air → Long-term EF 3.1 kg 0
a0ce02c0-e82d-4baa-9233-5f26ec31b1f2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7d0f1d51-1519-4617-84ea-9e4c345a568a Environmental → Air → Unknown EF 3.1 kg 4
ea53295c-7b0d-4d78-ae83-9e89bd06fee2 Environmental → Ground → Agricultural EF 3.1 kg 4
20ca6b5d-1790-4499-bdd3-7e391112a8bf Environmental → Ground → Non-agricultural EF 3.1 kg 4
7d12fc46-849c-407b-9840-3e58a1b33ad8 Environmental → Ground → Unknown EF 3.1 kg 4
0b96e1b7-df7a-4593-8d71-4269f5f31b45 Environmental → Water → Long-term EF 3.1 kg 0
f335799e-6696-4206-a147-fd0332299be6 Environmental → Water → Ocean EF 3.1 kg 4
174c4d8f-1b82-4fde-a98c-4dd899eb73c8 Environmental → Water → Surface water EF 3.1 kg 4
72acff4b-18e9-41bd-beec-6f0385d891d9 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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  "altLabel": [
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      "@value": "Acrylic acid, isooctyl ester",
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}

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