Consensus flow list

1-tert-butyl-4-{[({[(4-tert-butylcyclohexyl)oxy]carbonyl}peroxy)carbonyl]oxy}cyclohexane

fo-7f30a1094ec9f127

Identity

Type
NeutralMolecule
CAS
15520-11-3
EC
239-557-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-tert-butyl-4-{[({[(4-tert-butylcyclohexyl)oxy]carbonyl}peroxy)carbonyl]oxy}cyclohexane

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NOBYOEQUFMGXBP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
IUPAC name chemrof:IUPAC_name 1-tert-butyl-4-{[({[(4-tert-butylcyclohexyl)oxy]carbonyl}peroxy)carbonyl]oxy}cyclohexane
Molecular formula chemrof:molecular_formula C22H38O6
Molecular mass chemrof:molecular_mass 398.54
Monoisotopic mass chemrof:monoisotopic_mass 398.266839
SMILES string chemrof:smiles_string CC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)C)CC2)CC1

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=15520-11-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.946 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8065907 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/076NU497LZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.217G enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83666 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/84964 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3114 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1310539 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27236272 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc0a05a5-a5d4-4fbd-ac88-aec420304e69 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e6fc1e83-66a9-46a3-ad09-be2ede782595 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a7c4424e-ae85-42e9-99ed-4072d57ae31f Environmental → Air → Indoor EF 3.1 kg 4
7ca59dcd-9293-4451-acd1-1ebdb5d35c9b Environmental → Air → Long-term EF 3.1 kg 0
5825b486-ae13-4494-8f7d-458da48268d2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9dda35ba-64ec-455f-b0bc-a13ced66eb96 Environmental → Air → Unknown EF 3.1 kg 4
cfdf6129-d015-486a-9ce7-c912bae49cd7 Environmental → Ground → Agricultural EF 3.1 kg 4
20f48e9a-8ecb-418e-a84f-96e5f959ff72 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d126cb7d-1d73-425f-8691-fbd65bf12fa0 Environmental → Ground → Unknown EF 3.1 kg 4
cca52cfe-9357-4b2b-badc-e25356b7d434 Environmental → Water → Long-term EF 3.1 kg 0
344a6b2a-266b-4a23-990e-806a05f19e23 Environmental → Water → Ocean EF 3.1 kg 4
1554d435-2993-44b2-8376-08278671b9a4 Environmental → Water → Surface water EF 3.1 kg 4
6762eef0-36e5-44cd-8dc5-d1559360dcdf 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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