Consensus flow list

Identity

Type
Neutral molecule
CAS
927-07-1
EC
213-147-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tert-butyl 2,2-dimethylpropaneperoxoate

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OPQYOFWUFGEMRZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3
IUPAC name chemrof:IUPAC_name Tert-butyl 2,2-dimethylpropaneperoxoate
Molecular formula chemrof:molecular_formula C9H18O3
Molecular mass chemrof:molecular_mass 174.24
Monoisotopic mass chemrof:monoisotopic_mass 174.125594
SMILES string chemrof:smiles_string CC(C)(C)OOC(=O)C(C)(C)C

Known URLs

8

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=927-07-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.953 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2027339 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M0P448E3Y6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.119I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61238 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3113 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72503996 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
15d9fa3f-e12d-4800-9218-a558ff26b721 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e5ea246e-9691-4309-9400-768dfeea8dee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
71642679-018f-44bc-9ba9-e4cea6cf4afe Environmental → Air → Indoor EF 3.1 kg 4
8c06c660-8529-425d-908b-e17db0163f6b Environmental → Air → Long-term EF 3.1 kg 0
54dee01b-3a01-4f43-ade5-4955beb90633 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a42f41f2-3505-4175-af57-15b420a1ea0f Environmental → Air → Unknown EF 3.1 kg 4
c8accbe9-74e5-439e-b16d-a208fc6e12f4 Environmental → Ground → Agricultural EF 3.1 kg 4
8a8f9c70-67ac-432c-bd32-1926e105804f Environmental → Ground → Non-agricultural EF 3.1 kg 4
8e110839-0b80-4d15-8fdd-08df534485c6 Environmental → Ground → Unknown EF 3.1 kg 4
9b0b6d92-9537-4f56-a9cf-5604e8125096 Environmental → Water → Long-term EF 3.1 kg 0
4d1cc87d-06fe-4d38-bfe3-80a8e91e04f3 Environmental → Water → Ocean EF 3.1 kg 4
2e87d2f3-fddc-469f-b231-180f8436a28e Environmental → Water → Surface water EF 3.1 kg 4
991e2cee-3708-4c39-8b02-0bd97e534c13 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "Peroxypivalic acid, tert-butyl ester",
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      "@value": "Pivaloyl tert-butyl peroxide",
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      "@value": "Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester",
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      "@value": "t-Butyl peroxypivalate",
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      "@value": "TBPPI 75AL",
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      "@value": "tert-Butyl 2,2-dimethylperoxypropionate",
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    },
    {
      "@value": "tert-Butyl perpivalate",
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    },
    {
      "@value": "tert-Butyl tert-valeryl peroxide",
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    },
    {
      "@value": "tert-Butyl trimethylperoxyacetate",
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      "@value": "Trigonox 25",
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