Consensus flow list

Diisopropyl Adipate

fo-19223fa359fb4142

Identity

Type
Neutral molecule
CAS
6938-94-9
EC
230-072-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Diisopropyl Adipate

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZDQWESQEGGJUCH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
IUPAC name chemrof:IUPAC_name Diisopropyl Adipate
Molecular formula chemrof:molecular_formula C12H22O4
Molecular mass chemrof:molecular_mass 230.304
Monoisotopic mass chemrof:monoisotopic_mass 230.151809, 230.15181
SMILES string chemrof:smiles_string CC(C)OC(=O)CCCCC(=O)OC(C)C

Known URLs

17

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=6938-94-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34711 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.338 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027641 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56587 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184058 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/diisopropyl-adipate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P7E6YFV72X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041613 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.488F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14523 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14523 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49450 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77462 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23368 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1363600 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q21705003 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6f889f9f-4eba-4aef-b94e-d944fe63d8a7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8003326d-2738-422f-8c91-9f2b722e9b2c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fabece61-94be-4031-9ee8-6dbeec90549e Environmental → Air → Indoor EF 3.1 kg 4
99fe0d3e-513e-46f1-b7c7-9fb31b1d4e9a Environmental → Air → Long-term EF 3.1 kg 0
efb94679-8482-41e9-b63f-993428b32df1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7f1abae4-875f-4e30-aa10-0b9060fa92aa Environmental → Air → Unknown EF 3.1 kg 4
a46e882f-17d7-47f3-9628-71230b2f0baf Environmental → Ground → Agricultural EF 3.1 kg 4
d50ec17f-bf79-4c7d-a052-fdad537e73a3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4bb16b29-13b0-42b7-bf13-10c822e973c7 Environmental → Ground → Unknown EF 3.1 kg 4
61474779-87b6-4e94-b899-48dd50433893 Environmental → Water → Long-term EF 3.1 kg 0
321508d9-09ec-4685-a2cc-36af6dca7c2f Environmental → Water → Ocean EF 3.1 kg 4
50d88a07-c1bd-4291-84af-97da2d460099 Environmental → Water → Surface water EF 3.1 kg 4
450cc45a-7efc-4d6c-8708-816f448d4577 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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