3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane
fo-7750b803434acc0f
Identity
- Type
- Neutral molecule
- CAS
- 34443-12-4
- EC
- 252-029-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
16- 2-Ethylhexyl tert-Butyl peroxy carbonate
- Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(2-ethylhexyl) ester
- Esperox C 496
- Luperox TBEC
- Lupersol TBEC
- O-(2-Ethylhexyl) OO-tert-butyl peroxycarbonate
- OO-tert-butyl O-(2-ethylhexyl) monoperoxycarbonate
- OO-tert-Butyl O-(2-ethylhexyl) peroxycarbonate
- Perbutyl E
- Peroxan BEC
- Peroxycarbonic acid, OO-tert-butyl O-(2-ethylhexyl) ester
- TBEC
- tert-Butyl 2-ethylhexyl monopercarbonate
- tert-Butyl(2-ethylhexyl)monoperoxycarbonate
- tert-Butylperoxy 2-ethylhexyl carbonate
- tert-Butylperoxy 2-ethylhexyl monocarbonate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BRQMAAFGEXNUOL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H26O5/c1-6-8-9-11(7-2)10-15-12(14)16-18-17-13(3,4)5/h11H,6-10H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | tert-Butylperoxy 2-ethylhexyl carbonate |
| Molecular formula chemrof:molecular_formula | C13H26O4 |
| Molecular mass chemrof:molecular_mass | 246.347 |
| Monoisotopic mass chemrof:monoisotopic_mass | 246.183109 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COC(=O)OOOC(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=34443-12-4 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.047.284 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2044921 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185717 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2H9JK72OB3 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.892C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61931 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27254744 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9552d684-c4b6-4072-bba9-8bc0c765ddea | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 492dec8e-819d-44e9-9f97-532a2c08650b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f2990e14-c721-4954-8438-9cb476632afc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 16f7d2d9-a0ac-408b-bda7-6e33a77e4523 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e1bcdb83-86aa-4c5d-afdf-8a63d1d1b409 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b6c2c6ee-0a92-4002-99ec-ac99a60a226f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d54c0333-b926-4a13-b610-c55f35ca5b59 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a86512c5-8e34-4a59-9a67-e3e346e3f7b4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f29177e2-392a-4091-a0af-16c69decb11b | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1ab6fa4b-dc2e-48b4-84b1-752cf396f3b7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 539500f7-65e2-484d-9363-3a76483a08be | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4165ebbe-13b1-4b40-896d-52fc07d05a68 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 5f7bd2ba-6351-44b3-a1b2-ead47ff65277 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34443-12-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"252-029-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=252-029-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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