Consensus flow list

Identity

Type
Neutral molecule
CAS
13052-09-0
EC
235-935-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,5-dimethylhexane-2,5-diyl Bis[2-(ethylperoxy)hexanoate]

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JUIBLDFFVYKUAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3
IUPAC name chemrof:IUPAC_name 2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane
Molecular formula chemrof:molecular_formula C24H46O6
Molecular mass chemrof:molecular_mass 430.626
Monoisotopic mass chemrof:monoisotopic_mass 430.329439
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC

Known URLs

8

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=13052-09-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.653 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90864350 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/10N88F7673 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.314E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/114448 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3113 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27251146 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1712bc09-44cb-498d-9891-0c92d3d5c184 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c1849a13-695b-4f21-ba50-b5c1e08ea819 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
51cd67ba-7d26-4a00-b2f9-87c9359ce9e0 Environmental → Air → Indoor EF 3.1 kg 2
89393855-f0d1-42b0-8a1f-8dd00f08a2f7 Environmental → Air → Long-term EF 3.1 kg 0
a72f92e7-93c2-4e68-a433-2dd99fe1a543 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
87debed2-4291-4471-afb8-170a2bb69901 Environmental → Air → Unknown EF 3.1 kg 2
4d9b1d1f-6763-4090-91ce-e4a0f60d5787 Environmental → Ground → Agricultural EF 3.1 kg 2
d8476a31-09d9-4575-84d6-1b3d3d95692e Environmental → Ground → Non-agricultural EF 3.1 kg 2
90859253-4e0f-4081-8583-d6beff81be48 Environmental → Ground → Unknown EF 3.1 kg 2
717519b6-752a-492a-abd3-8868a4ba53ae Environmental → Water → Long-term EF 3.1 kg 0
0b7c1dbc-f845-4531-8fc4-f38e80a90cc9 Environmental → Water → Ocean EF 3.1 kg 2
98f20340-8f86-4308-b054-a7a9a325ca6b Environmental → Water → Surface water EF 3.1 kg 2
42d726ef-d21a-4889-a80f-733148724fe8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "235-935-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=235-935-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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