Consensus flow list

Identity

Type
NeutralMolecule
CAS
22288-43-3
EC
244-894-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1,3,3-tetramethylbutyl 2-(ethylperoxy)hexanoate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RFLMOBVJXKBPQW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H32O3/c1-8-10-11-13(9-2)14(17)18-19-16(6,7)12-15(3,4)5/h13H,8-12H2,1-7H3
IUPAC name chemrof:IUPAC_name 1,1,3,3-Tetramethylbutyl 2-ethylhexaneperoxoate
Molecular formula chemrof:molecular_formula C16H32O3
Molecular mass chemrof:molecular_mass 272.429
Monoisotopic mass chemrof:monoisotopic_mass 272.235145
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)OOC(C)(C)CC(C)(C)C

Known URLs

6

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=22288-43-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.798 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30944943 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.317J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90761 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82922174 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0984a2c8-7921-4f9e-8d61-71551b6da65a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d419b9c2-e61f-433c-8fe3-2df1528a6745 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b2f2997a-f893-46ec-b88b-f3d5ac31e427 Environmental → Air → Indoor EF 3.1 kg 4
0aa15463-00cd-4a8f-93bc-5a1c0e030638 Environmental → Air → Long-term EF 3.1 kg 0
f96874ee-cac5-4fcf-8573-154e73c7cfc5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7cf22828-b972-406a-a0cf-e79b300b1ecb Environmental → Air → Unknown EF 3.1 kg 4
0df42e93-7efd-4ee7-ba21-f17e470e8daa Environmental → Ground → Agricultural EF 3.1 kg 4
c84f650a-7a7d-4e89-a7bc-25226d0af28e Environmental → Ground → Non-agricultural EF 3.1 kg 4
7b5ba250-e3c4-4442-8429-f9fc253c0d23 Environmental → Ground → Unknown EF 3.1 kg 4
75fc7526-0bb2-4fcd-a7ca-6e9f03fd2c58 Environmental → Water → Long-term EF 3.1 kg 0
e70a6c0a-561f-455b-b9d1-db169b00cc14 Environmental → Water → Ocean EF 3.1 kg 4
8ba4cd71-c856-4463-b9b1-8806d36c3c3c Environmental → Water → Surface water EF 3.1 kg 4
236ea85a-5545-4107-8219-c9ea8069c88d 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
{
  "flow_object_id": "fo-a74536ca1265953a",
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    {
      "@value": "2-Pentanol, 2,4,4-trimethyl-, 2-ethylperoxyhexanoate",
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}

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