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

2,5-Bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane
2,5-Di(2-ethylhexanoylperoxy)-2,5-dimethylhexane
2,5-Dimethyl-2,5-bis(2-ethylhexanoylperoxy)hexane
2,5-Dimethyl-2,5-hexanediol bis(2-ethylperoxyhexanoate)
2,5-Dimethyl-2,5-hexanediyl bis(2-ethylhexaneperoxoate)
2,5-Dimethylhexane-2,5-diperoxy-2-ethylhexanoate
2,5-Hexanediol, 2,5-dimethyl-, bis(2-ethylperoxyhexanoate)
Hexaneperoxoic acid, 2-ethyl-, 1,1,4,4-tetramethyl-1,4-butanediyl ester
Hexaneperoxoic acid, 2-ethyl-, OO1,OO1′-(1,1,4,4-tetramethyl-1,4-butanediyl) ester
Kayaester AO
Perhexa 25O
Peroxyhexanoic acid, 2-ethyl-, 1,1,4,4-tetramethyltetramethylene ester

Property	Value
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

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	https://www.wikidata.org/wiki/Q27251146	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "13052-09-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=13052-09-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=13052-09-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "235-935-5"
      ],
      "rdfs:seeAlso": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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