Consensus flow list

1,3-bis[1-(tert-butylperoxy)-1-methylethyl]benzene

fo-c075a3284c7063f5

Identity

Type
NeutralMolecule
CAS
2212-81-9
EC
218-664-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3-bis[1-(tert-butylperoxy)-1-methylethyl]benzene

Alternative labels

41

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UBRWPVTUQDJKCC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-12-11-13-16(14-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
IUPAC name chemrof:IUPAC_name 1,3-bis[1-(tert-butylperoxy)-1-methylethyl]benzene
Molecular formula chemrof:molecular_formula C20H34O4
Molecular mass chemrof:molecular_mass 338.488
Monoisotopic mass chemrof:monoisotopic_mass 338.24571
SMILES string chemrof:smiles_string CC(C)(C)OOC(C)(C)c1cccc(C(C)(C)OOC(C)(C)C)c1

Known URLs

7

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=2212-81-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.968 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50862872 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5C532BF77V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J155.571E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16654 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72446952 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eb27ad1a-ce14-45f2-8571-0371be4a0b44 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
567672b4-6013-4fa2-a5e7-f1c8fc5b521f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
038980b7-d6e6-4c8d-9a5b-f835dd624512 Environmental → Air → Indoor EF 3.1 kg 4
3b4521ae-7a94-48d8-93de-3a0ba5e7d925 Environmental → Air → Long-term EF 3.1 kg 0
8abeccbb-3f87-4d24-b7fd-9050f2abc102 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
23711456-7ec1-460b-8c82-448b953d6461 Environmental → Air → Unknown EF 3.1 kg 4
2ac7601b-0f70-4d03-b29c-7f6a08667f35 Environmental → Ground → Agricultural EF 3.1 kg 4
a37c1b7f-a385-4fba-85e4-4d2c21aa41a6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
03f76e65-a2eb-4a8b-b226-45425d62625a Environmental → Ground → Unknown EF 3.1 kg 4
15000885-1c18-499d-9ed5-cf4a57287edc Environmental → Water → Long-term EF 3.1 kg 0
0196d9bd-ac17-4445-87fb-e8f19f4701b0 Environmental → Water → Ocean EF 3.1 kg 4
458d3cfe-5666-49a1-8631-48f0f346a941 Environmental → Water → Surface water EF 3.1 kg 4
cfdc6353-05fe-4dcd-918d-8c3fc42656c2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
      "@value": "PBP",
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      "@value": "PBP (peroxide)",
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    },
    {
      "@value": "Perbutyl P",
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      "@value": "Perbutyl P 40",
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      "@value": "Perkadox 14-40B-PD-S",
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      "@value": "Perkadox 14/96",
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      "@value": "Perkadox 1K/40",
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    },
    {
      "@value": "Peroxide, (m-phenylenediisopropylidene)bis[tert-butyl",
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      "@value": "Peroxide, 1,1′-[1,3-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)",
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