Consensus flow list

Tin, Dioctylbis(2,4-pentanedionato-κo2,κo4)-

fo-2da85bff8b513ece

Identity

Type
Chemical salt
CAS
54068-28-9
EC
483-270-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tin, Dioctylbis(2,4-pentanedionato-κo2,κo4)-

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MTBVDKSFTCGOTN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C8H17.2C5H7O2.Sn/c2*1-3-5-7-8-6-4-2;2*1-4(6)3-5(2)7;/h2*1,3-8H2,2H3;2*3H,1-2H3;/q4*-1;+4
IUPAC name chemrof:IUPAC_name bis(octane);bis(pentane-2,4-dione);tin(4+), stannic;bis(octane);bis(pentane-2,4-dione)
Molecular formula chemrof:molecular_formula C26H48O4Sn
Molecular mass chemrof:molecular_mass 543.377
Monoisotopic mass chemrof:monoisotopic_mass 544.257455
SMILES string chemrof:smiles_string CCCCCCC[CH2-].CCCCCCC[CH2-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Sn+4]

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=54068-28-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901020444 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=644936 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/371041 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
bfe156a6-5dbd-47f1-ba5d-ccf5582b21bf Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bb686ae0-9e0b-409e-93d5-26a6f81b8794 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
71cfed22-016f-4322-947a-1008961a8070 Environmental → Air → Indoor EF 3.1 kg 4
bf1cce4b-42e0-47e4-b317-43621ca782f9 Environmental → Air → Long-term EF 3.1 kg 0
cc0e7fc7-eab2-4cc4-9598-ca7a4cb0218e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
823dd6dc-1306-4433-b8de-69d48d2939a2 Environmental → Air → Unknown EF 3.1 kg 4
4d339a66-a160-4c6b-9663-92a53bf1d42a Environmental → Ground → Agricultural EF 3.1 kg 4
586d9831-433d-4c62-ba33-fc4b180d8712 Environmental → Ground → Non-agricultural EF 3.1 kg 4
772ddb5c-160f-43e5-aae6-7653ce82b6c5 Environmental → Ground → Unknown EF 3.1 kg 4
ee89e979-6a78-4d22-8b59-034f59bbf6fb Environmental → Water → Long-term EF 3.1 kg 0
4631d5df-a14d-4f57-b937-32c579366fd9 Environmental → Water → Ocean EF 3.1 kg 4
2bf822b4-99b9-40a3-80fa-a9581f061b55 Environmental → Water → Surface water EF 3.1 kg 4
cda05cca-9e4b-4910-b2a8-6f207bdde197 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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}

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