Consensus flow list

Identity

Type
NeutralMolecule
CAS
3425-61-4
EC
222-321-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,1-dimethylpropyl Hydroperoxide

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XRXANEMIFVRKLN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name 1,1-dimethylpropyl Hydroperoxide
Molecular formula chemrof:molecular_formula C5H12O2
Molecular mass chemrof:molecular_mass 104.149
Monoisotopic mass chemrof:monoisotopic_mass 104.08373
SMILES string chemrof:smiles_string CCC(C)(C)OO

Known URLs

7

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=3425-61-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.293 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6029256 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8DSG8F2WBP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J69.507F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76962 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27270235 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d7672f4f-edcd-48a6-867a-019497bc5d9a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7c7fc6bc-82a6-4f56-93ca-043d506668e5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
afae7191-6632-4023-b570-91be00c6c886 Environmental → Air → Indoor EF 3.1 kg 4
9026c12d-66aa-4268-a39e-c3fc04c98f0b Environmental → Air → Long-term EF 3.1 kg 0
3981d17b-bc32-4849-bc7e-6d71d6aa4388 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a6d49f6d-4509-4524-b505-8e62ea54672d Environmental → Air → Unknown EF 3.1 kg 4
c56505f8-827a-4508-8dd8-fd056100c32f Environmental → Ground → Agricultural EF 3.1 kg 4
583265f3-6af7-4aea-8e42-addf76595005 Environmental → Ground → Non-agricultural EF 3.1 kg 4
780dbb58-383e-40d1-b026-dae449a11c0d Environmental → Ground → Unknown EF 3.1 kg 4
612da7fa-5635-468b-8ab3-a623892c2f46 Environmental → Water → Long-term EF 3.1 kg 0
026c1468-8423-4b79-9875-7ee64910b588 Environmental → Water → Ocean EF 3.1 kg 4
4b2bb06e-0d06-4217-8a89-fd28806dadd9 Environmental → Water → Surface water EF 3.1 kg 4
428dd966-0bba-44a7-a8c0-410b8bb19472 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-f1d88d43a526d655",
  "prefLabel": [
    {
      "@value": "1,1-dimethylpropyl Hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethyl-2-propyl hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3425-61-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3425-61-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroperoxy-2-methylbutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroperoxide, 1,1-dimethylpropyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Luperox TAH",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Luperox TAH 85",
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    {
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    {
      "@value": "Peroxan AHP",
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    },
    {
      "@value": "t-Amyl hydroperoxide",
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      }
    },
    {
      "@value": "tert-Amyl hydrogen peroxide",
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    {
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        ],
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    },
    {
      "@value": "tert-Pentyl hydroperoxide",
      "@language": "en",
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    },
    {
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    {
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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