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
Alternative labels
28- 1,1-Dimethylethyl hydroperoxide
- 2-Hydroperoxy-2-methylpropane
- 2-Methylpropane-2-peroxol
- Cadox TBH
- Dimethylethyl hydroperoxide
- Hydroperoxide, 1,1-dimethylethyl
- Hydroperoxyde de butyle tertiaire
- Kayabutyl H
- Kayabutyl H 70
- Luperox H 70
- Luperox TBH
- Luperox TBH 68X
- Luperox TBH 70X
- Luperox TBHP
- MeSH ID: D020122
- Perbutyl H
- Perbutyl H 69
- Perbutyl H 69T
- Perbutyl H 80
- Peroxan BHP 10
- t-butyl hydroperoxide
- t-Butylhydroperoxide
- T-HYDRO
- TBHP
- tert-Butyl hydrogen peroxide
- tert-Butylhydroperoxide
- Tertiary-butyl hydroperoxide
- Trigonox A-W 70
Properties
| Property | Value |
|---|---|
| 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
23Where 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 | 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)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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