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Cumene hydroperoxide

fo-fbd43419a88d7439

Identity

Type
Neutral molecule
CAS
80-15-9
EC
201-254-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Cumene hydroperoxide

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

39

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YQHLDYVWEZKEOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
IUPAC name chemrof:IUPAC_name 1-Methyl-1-phenylethyl hydroperoxide
Molecular formula chemrof:molecular_formula C9H12O2
Molecular mass chemrof:molecular_mass 152.193
Monoisotopic mass chemrof:monoisotopic_mass 152.08373
SMILES string chemrof:smiles_string CC(C)(OO)c1ccccc1

Known URLs

23

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=80-15-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78673 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.141 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0761 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024869 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1518369 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PG7JD54X4I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250588 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.835E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123583 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD0-1449 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6629 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3107 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3109 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23357941 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23707950 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23767299 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24073228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24492382 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26985019 enrich_references.chebi_xrefs
reaxys reaxys:1908117 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q414439 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cumene_hydroperoxide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d9f06227-0f82-4a65-aed0-17fdd5df724e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f1fd3131-5edb-4f88-8d56-1358ce5edb15 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f7f64bf1-3478-4c91-83ee-114702154fd1 Environmental → Air → Indoor EF 3.1 kg 2
435851d7-9743-4d22-a0cd-9e2468fdfb92 Environmental → Air → Long-term EF 3.1 kg 0
a25069e2-b5e6-4bb7-a729-417b53f79888 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bdb8632d-b7d1-4415-a7dd-39048f42f953 Environmental → Air → Unknown EF 3.1 kg 2
1b02eed2-3e1f-4396-96a6-2af9253b6511 Environmental → Ground → Agricultural EF 3.1 kg 2
3a92e3ed-3b71-460d-926b-8fb14a70873a Environmental → Ground → Non-agricultural EF 3.1 kg 2
e82ccea7-2e71-410f-b138-21a6ae200d08 Environmental → Ground → Unknown EF 3.1 kg 2
ee99413e-da8a-4f19-9b70-7afdc0ef91d8 Environmental → Water → Long-term EF 3.1 kg 0
47e99585-9083-4426-9a1d-a757ad6bf7e1 Environmental → Water → Ocean EF 3.1 kg 2
4dd99a74-9603-4b7b-8058-12fe2759f3a3 Environmental → Water → Surface water EF 3.1 kg 2
c79d2f3c-ce48-46c5-9821-a2af5fc4b7e1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fbd43419a88d7439",
  "prefLabel": [
    {
      "@value": "Cumene hydroperoxide",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Methyl-1-phenylethyl hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Hydroperoxy-2-phenylpropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenyl-2-propyl hydroperoxide",
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      "provenance": {
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      }
    },
    {
      "@value": "2-Phenylpropyl hydroperoxide",
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      }
    },
    {
      "@value": "7-Cumyl hydroperoxide",
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      }
    },
    {
      "@value": "alpha,alpha-Dimethylbenzyl hydroperoxide",
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      }
    },
    {
      "@value": "alpha-Cumene hydroperoxide",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Cumyl hydroperoxide",
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      }
    },
    {
      "@value": "C 109598",
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    },
    {
      "@value": "CHP",
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    {
      "@value": "CHPO",
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      }
    },
    {
      "@value": "Cumen hydroperoxide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cumenyl hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cumolhydroperoxid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cumyl hydrogen peroxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cumyl hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hydroperoxide, 1-methyl-1-phenylethyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroperoxide, α,α-dimethylbenzyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroperoxyde de cumene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_78673"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hydroperoxyde de cumyle",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_78673"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Hyperis",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hyperiz",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-15-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isopropylbenzene hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_78673"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Kayacumene H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Luperox CU 80",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-15-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Luperox CU 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Norox CHP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-15-9",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Percumyl H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-15-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Percumyl H 18",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:80-15-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Percumyl H 80",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Percumyl H 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peroxan CU 90L",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox K 80",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox K 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox R 239A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox R 239R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=80-15-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Α,α-dimethylbenzyl Hydroperoxide",
      "@language": "en",
      "@lang": "en",
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