Tert-butyl 1-methyl-1-phenylethyl Peroxide
fo-e62236c21d5f63cf
Identity
- Type
- Neutral molecule
- CAS
- 3457-61-2
- EC
- 222-389-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
13- 1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxide
- 2-(tert-Butylperoxy)-2-phenylpropane
- 7-(tert-Butylperoxy)cumene
- Cumyl tert-butyl peroxide
- Kayabutyl C
- Luperox D 16
- Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl
- Peroxide, tert-butyl α,α-dimethylbenzyl
- tert-Butyl cumyl peroxide
- tert-Butyl α,α-dimethylbenzyl peroxide
- Trigonox T
- Trigonox T 40
- Trigonox T 50D-PD
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BIISIZOQPWZPPS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3 |
| IUPAC name chemrof:IUPAC_name | Tert-butyl 1-methyl-1-phenylethyl Peroxide |
| Molecular formula chemrof:molecular_formula | C13H20O2 |
| Molecular mass chemrof:molecular_mass | 208.301 |
| Monoisotopic mass chemrof:monoisotopic_mass | 208.14633 |
| SMILES string chemrof:smiles_string | CC(C)(C)OOC(C)(C)c1ccccc1 |
Known URLs
9Where 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=30026-92-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3457-61-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.020.355 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9063039 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J78XB9M8IR | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.053H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/76997 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3105 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27281299 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8c75561c-c5a6-4500-87c6-7720728860f7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 12692b36-30b6-4eab-b3b0-c7592efeea49 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 10f368c6-f1d8-41ea-ab7e-0f159172d57e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 533adada-6630-4267-bc8d-e6ba2071e2be | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 15f0ad92-cea1-4130-b316-06fcfd2ae93b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5b648e91-b587-4dbe-96b1-bc8f60ae2728 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 414b322b-7a92-40e1-813e-9adb603140a4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5fdfe12d-9e50-4008-a7f3-ae5ed149d742 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1133790e-ed39-4a4c-829a-d43ae4517234 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c5b4e969-104b-47ae-a9de-6e3f1a759e9d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| deb48fe2-54dd-4216-9967-5df163043ec9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 876d6544-5016-4da5-a55c-7d7686e84dc8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| cfc49019-6c56-451d-81a1-b23b8008bfc1 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 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