Consensus flow list

Identity

Type
Neutral molecule
CAS
3851-87-4
EC
223-356-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis(2,4,4-trimethylpentyl)peroxyanhydride

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KFGFVPMRLOQXNB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3
IUPAC name chemrof:IUPAC_name 3,5,5-Trimethylhexanoyl peroxide
Molecular formula chemrof:molecular_formula C18H34O4
Molecular mass chemrof:molecular_mass 314.466
Monoisotopic mass chemrof:monoisotopic_mass 314.24571
SMILES string chemrof:smiles_string CC(CC(=O)OOC(=O)CC(C)CC(C)(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=3851-87-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.234 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60863279 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.259I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/107176 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72514073 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
188a4e0f-1fbe-4a60-8e88-e4ddceef2531 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6bf3cee6-aa55-4c62-9b6d-e023cb602d7b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1f352e95-6ab2-4c7a-9cbe-9602db453995 Environmental → Air → Indoor EF 3.1 kg 4
81575221-e09c-4bc6-9520-92f2f5947eb0 Environmental → Air → Long-term EF 3.1 kg 0
ea5ac4d6-b73c-45a8-bfbc-6fab9a303587 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5e4a2b00-9b72-4407-833c-4b7701b77cab Environmental → Air → Unknown EF 3.1 kg 4
ef418852-8d3c-47cb-a416-97c235c831af Environmental → Ground → Agricultural EF 3.1 kg 4
d5073622-a292-4980-91f9-3600506e72d6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c136a81d-a4c4-47f3-b76a-4ced2c1cec6d Environmental → Ground → Unknown EF 3.1 kg 4
7ae047a3-0456-4643-b406-d93bba44701d Environmental → Water → Long-term EF 3.1 kg 0
f4287be4-d487-45f7-9ca0-d7364e2ebe5c Environmental → Water → Ocean EF 3.1 kg 4
b692bb5a-07c6-4711-9665-c6fb169106ca Environmental → Water → Surface water EF 3.1 kg 4
fb0a0792-6838-4138-8fa4-60378c50ccb6 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-38ca4e89aa962456",
  "prefLabel": [
    {
      "@value": "Bis(2,4,4-trimethylpentyl)peroxyanhydride",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,5,5-Trimethylhexanoyl peroxide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(3,5,5-trimethyl-1-oxohexyl) peroxide",
      "@language": "en",
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    },
    {
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      }
    },
    {
      "@value": "Peroxide, bis(3,5,5-trimethyl-1-oxohexyl)",
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    },
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}

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