Tert-butyl 2-methylpropaneperoxoate
fo-2d70930d7f8f8ac8
Identity
- Type
- Neutral molecule
- CAS
- 109-13-7
- EC
- 203-650-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
13- Chemex IB
- Esperox 24M
- Kayaester I
- LQ-TBPI
- Lupersol 8
- Lupersol 80
- Perbutyl IB
- Peroxyisobutyric acid, tert-butyl ester
- Propaneperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester
- t-Butyl peroxyisobutyrate
- tert-Butyl perisobutyrate
- tert-Butyl peroxyisobutyrate
- Trigonox 41C75
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PFBLRDXPNUJYJM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3 |
| IUPAC name chemrof:IUPAC_name | Tert-butyl 2-methylpropaneperoxoate |
| Molecular formula chemrof:molecular_formula | C8H16O3 |
| Molecular mass chemrof:molecular_mass | 160.213 |
| Monoisotopic mass chemrof:monoisotopic_mass | 160.109944 |
| SMILES string chemrof:smiles_string | CC(C)C(=O)OOC(C)(C)C |
Known URLs
8Where 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=109-13-7 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.319 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1059363 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.431G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61023 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3101 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3115 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q72503992 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 60215e4b-8365-47ab-b43b-620ad006fa56 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d6b9a8a7-594f-41a0-a07a-44833e35eae3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| aad77910-c73b-4ee0-94ef-db10ce7d70a1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 9a1d4859-7c54-4fd2-bf5f-645b99637292 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9e6087dd-d4b0-439a-b055-ffc514d83bac | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c5130677-f43b-4760-a3ab-a6a4b02ad3ad | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4759c0cb-9c73-473b-9288-419252667edc | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 3b7813eb-db3d-4d91-a70e-2a3d3ccc6531 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 23038374-2c27-41f3-84ff-9890b0dea789 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 6ea2ece0-ae49-4855-8cc1-414bf96d5e28 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 74f0d181-e409-4677-a19e-b9f57a2eaf76 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 96fdf340-7fe7-49eb-9d33-aa6e1b39db7b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4a6269b6-b7f9-4e1d-a61a-b4c17f756063 | 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