Consensus flow list

1,1-bis(tert-butylperoxy)cyclohexane

fo-10f72c22d71e46d4

Identity

Type
NeutralMolecule
CAS
3006-86-8
EC
221-111-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1-bis(tert-butylperoxy)cyclohexane

Alternative labels

37

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HSLFISVKRDQEBY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3
IUPAC name chemrof:IUPAC_name 1,1-bis(tert-butylperoxy)cyclohexane
Molecular formula chemrof:molecular_formula C14H28O4
Molecular mass chemrof:molecular_mass 260.374
Monoisotopic mass chemrof:monoisotopic_mass 260.198759
SMILES string chemrof:smiles_string CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1

Known URLs

11

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=3006-86-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.193 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4044907 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JK62J3E3Q4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.394J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76359 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/#3103 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3105 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3109 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27281541 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
45dd0eaa-bb27-4fb7-879b-2a26289dc41f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
94a4b8fb-94e6-4cc0-99c8-aaf2cfd4a679 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e2cf35c2-37d8-4142-9784-1f4b7a3d9f98 Environmental → Air → Indoor EF 3.1 kg 4
c619c908-8948-4854-9655-c7d31c37ac27 Environmental → Air → Long-term EF 3.1 kg 0
c2ac5ca4-0638-403f-8dbe-5d29761d045b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b4b607ca-18f9-46fe-ad3a-f6e676c454f1 Environmental → Air → Unknown EF 3.1 kg 4
273dd5b2-ade0-49bf-8e86-2b97e7cc310d Environmental → Ground → Agricultural EF 3.1 kg 4
317c5e16-ce64-4f5c-8317-e00e70067cfc Environmental → Ground → Non-agricultural EF 3.1 kg 4
5ab7800e-82e8-45f3-9751-fa715808a1c7 Environmental → Ground → Unknown EF 3.1 kg 4
30df3999-b061-46d9-9f4c-b645a41bee5d Environmental → Water → Long-term EF 3.1 kg 0
9bfe816d-410d-4562-9d58-5affc4714bc9 Environmental → Water → Ocean EF 3.1 kg 4
cbebbf8a-9b92-44a0-8756-adc55331d7b8 Environmental → Water → Surface water EF 3.1 kg 4
0cbef00a-20df-4252-9779-b66e74aaf0e8 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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  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H28O4"
      ],
      "attested_by": {
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