Consensus flow list

Tert-butyl Hydroperoxide

fo-2eddb068b502d37a

Identity

Type
Neutral molecule
CAS
75-91-2
EC
200-915-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tert-butyl Hydroperoxide

Alternative labels

28

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CIHOLLKRGTVIJN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
IUPAC name chemrof:IUPAC_name Tert-butyl Hydroperoxide
Molecular formula chemrof:molecular_formula C4H10O2
Molecular mass chemrof:molecular_mass 90.122
Monoisotopic mass chemrof:monoisotopic_mass 90.06808
SMILES string chemrof:smiles_string CC(C)(C)OO

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=75-91-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64090 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.833 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0842 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9024693 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=672 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL348399 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/955VYL842B enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258844 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.397C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=63139 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6410 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/#3109 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21418283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22037478 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22039964 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22326806 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22337620 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22369679 enrich_references.chebi_xrefs
reaxys reaxys:1098280 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q286326 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tert-Butyl_hydroperoxide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fbda9c83-15e6-480f-bb14-8a9b7b5e07dc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2b9f9ddf-18e2-44e5-8d2d-ddcd71e8dd59 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
496a45d7-4e77-41b8-b607-446cf6252457 Environmental → Air → Indoor EF 3.1 kg 4
f095185c-d84a-4389-b25a-e67eaa72822a Environmental → Air → Long-term EF 3.1 kg 0
fca6fec0-581c-447d-a0af-94ba51d9fd33 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
20212b49-6e63-48ee-8919-a48f258dd0b0 Environmental → Air → Unknown EF 3.1 kg 4
6d9bee0a-5ebd-4a97-ab19-1ae7466c2d35 Environmental → Ground → Agricultural EF 3.1 kg 4
4d1f39ee-fb9d-485d-826b-ab7fdb678fac Environmental → Ground → Non-agricultural EF 3.1 kg 4
46dd5aaa-772d-4c9f-be04-f3013a9238be Environmental → Ground → Unknown EF 3.1 kg 4
9cd43514-6e0b-4e82-9351-86d939722a1a Environmental → Water → Long-term EF 3.1 kg 0
afbe3a49-5d70-45c1-9161-add9dcbeb673 Environmental → Water → Ocean EF 3.1 kg 4
c3543105-11c8-48e3-be38-0205aa65c153 Environmental → Water → Surface water EF 3.1 kg 4
6a3b5474-5176-443a-8f72-376316c8b927 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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  ],
  "altLabel": [
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      "@value": "2-Hydroperoxy-2-methylpropane",
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    {
      "@value": "2-Methylpropane-2-peroxol",
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      "@value": "Hydroperoxyde de butyle tertiaire",
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      "@value": "Kayabutyl H",
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    {
      "@value": "Luperox TBH 68X",
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    {
      "@value": "MeSH ID: D020122",
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    },
    {
      "@value": "Perbutyl H",
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    },
    {
      "@value": "Perbutyl H 69",
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    },
    {
      "@value": "Perbutyl H 69T",
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    },
    {
      "@value": "Perbutyl H 80",
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    },
    {
      "@value": "Peroxan BHP 10",
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    },
    {
      "@value": "t-butyl hydroperoxide",
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    },
    {
      "@value": "t-Butylhydroperoxide",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "T-HYDRO",
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    {
      "@value": "TBHP",
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    },
    {
      "@value": "tert-Butyl hydrogen peroxide",
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    {
      "@value": "tert-Butylhydroperoxide",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Tertiary-butyl hydroperoxide",
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      "provenance": {
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    },
    {
      "@value": "Trigonox A-W 70",
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  ],
  "properties": {
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