Consensus flow list

Identity

Type
Neutral molecule
CAS
78-63-7
EC
201-128-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane

Alternative labels

68

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DMWVYCCGCQPJEA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
IUPAC name chemrof:IUPAC_name 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
Molecular formula chemrof:molecular_formula C16H34O4
Molecular mass chemrof:molecular_mass 290.444
Monoisotopic mass chemrof:monoisotopic_mass 290.24571
SMILES string chemrof:smiles_string CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C

Known URLs

11

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=78-63-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.026 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025110 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38203 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1874231 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/923755EYY5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.829K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6545 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3105 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3108 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27271465 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7b98917f-c7f1-4163-8ff2-f2040e39fd63 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7134691f-e2ff-4c8b-9963-155f6982fe3e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bfd66022-3e94-4302-a0f9-b4d1d8f6ec7e Environmental → Air → Indoor EF 3.1 kg 4
d03c9758-0934-41ca-b48f-57faaf36b915 Environmental → Air → Long-term EF 3.1 kg 0
a20b9745-dca2-4690-ad7b-2a07a5a7f194 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bbfafc7f-b0a1-47a1-9cc4-202e30b54605 Environmental → Air → Unknown EF 3.1 kg 4
05f7c109-f21d-44ee-93ea-260da3fe0b9d Environmental → Ground → Agricultural EF 3.1 kg 4
d4751bbf-f5d3-45d1-ab3e-accc6879e4c2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
35859e52-7d13-4190-98be-9fdf47b7a4f6 Environmental → Ground → Unknown EF 3.1 kg 4
6ba5ba45-6095-4796-a28c-0689940a0388 Environmental → Water → Long-term EF 3.1 kg 0
faab005a-1aaa-4b95-b0c3-b87554b09518 Environmental → Water → Ocean EF 3.1 kg 4
0d86e9bb-481f-482c-a342-f54d9425a506 Environmental → Water → Surface water EF 3.1 kg 4
2c798ac0-9153-40e9-b070-0e51584eff64 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
{
  "flow_object_id": "fo-2347a005222112de",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)",
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    },
    {
      "@value": "1,1′-(1,1,4,4-Tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) peroxide]",
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      "@value": "2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide",
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      "@value": "2,5-Dimethyl-di(tert-butyl)peroxyhexane",
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    {
      "@value": "2,5-Dimethylhexane-2,5-di-tert-butylperoxide",
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    {
      "@value": "25B40",
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      "@value": "APO",
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      "@value": "APO 10DL",
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    {
      "@value": "C 8BS",
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      "@value": "Colink 101-45GE",
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      "@value": "DHBP",
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