Consensus flow list

Identity

Type
NeutralMolecule
CAS
614-45-9
EC
210-382-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tert-butyl Benzenecarboperoxoate

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GJBRNHKUVLOCEB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
IUPAC name chemrof:IUPAC_name Tert-butyl Benzenecarboperoxoate
Molecular formula chemrof:molecular_formula C11H14O3
Molecular mass chemrof:molecular_mass 194.23
Monoisotopic mass chemrof:monoisotopic_mass 194.094294
SMILES string chemrof:smiles_string CC(C)(C)OOC(=O)c1ccccc1

Known URLs

13

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=614-45-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.440 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.250.489 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9024699 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=674 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1328092 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54E39145KT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.083D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11966 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3103 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3106 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q14469782 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tert-Butyl_peroxybenzoate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3343764a-75c9-4ab1-8555-305c8eefd526 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
deb84039-c783-4856-827b-4ac91d7896f1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c526fd89-1d63-478e-ba66-93b5a399a34c Environmental → Air → Indoor EF 3.1 kg 2
5a5c5630-53e9-4246-8a9f-1a50aa100e6c Environmental → Air → Long-term EF 3.1 kg 0
8b3b4042-4d31-46eb-a847-efbbba6ebdbd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
015aebb9-806a-45b8-ac17-ac2d07e44743 Environmental → Air → Unknown EF 3.1 kg 2
2be57761-b7cd-4dff-96f1-85de7c0fd23b Environmental → Ground → Agricultural EF 3.1 kg 2
0deb43dc-069f-453f-b876-3d13820b06d2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
03f511e5-5bb8-43da-ae6f-9597a40c7026 Environmental → Ground → Unknown EF 3.1 kg 2
935fa6e5-08ba-47f5-8035-9d54476acc28 Environmental → Water → Long-term EF 3.1 kg 0
3e5740a3-c8b5-4ece-930d-48d51fdbf67b Environmental → Water → Ocean EF 3.1 kg 2
5fbbce4e-5df8-482b-ba5a-06506c8d4bac Environmental → Water → Surface water EF 3.1 kg 2
450618ab-af7e-4f60-87d0-cf54c4016a7b 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
{
  "flow_object_id": "fo-ec52fa70443abfc5",
  "prefLabel": [
    {
      "@value": "Tert-butyl Benzenecarboperoxoate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "B 802799",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenecarboperoxoic acid, 1,1-dimethylethyl ester",
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        ],
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      }
    },
    {
      "@value": "Benzoyl tert-butyl peroxide",
      "@language": "en",
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    },
    {
      "@value": "Chaloxyd TBPB",
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    {
      "@value": "Chaloxyd TBPB-HA-M 1",
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    },
    {
      "@value": "Esperox 10",
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    {
      "@value": "Interox TBPB-HA-M 1",
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      }
    },
    {
      "@value": "Kayabutyl B",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Link-Cup TBPB",
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      }
    },
    {
      "@value": "LQ-TBPB",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Luperox P",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Luperox PXL",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Norox TBPB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Perbutyl Z",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=614-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peroxan PB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peroxybenzoic acid, tert-butyl ester",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "t-Butyl peroxybenzoate",
      "@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": "TBPB",
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        ],
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      }
    },
    {
      "@value": "TBPB-HA-M 1",
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    },
    {
      "@value": "TBPB-HA-M 3",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Butyl alcohol, peroxybenzoate",
      "@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=614-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Butyl benzoperoxoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=614-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Butyl benzoyl peroxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=614-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Butyl perbenzoate",
      "@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=614-45-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tert-Butyl peroxybenzoate",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox 93",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox C",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trigonox C 50D",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H14O3"
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GJBRNHKUVLOCEB-UHFFFAOYSA-N"
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    },
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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