Consensus flow list

Identity

Type
NeutralMolecule
CAS
5809-08-5
EC
227-369-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,1,3,3-tetramethylbutyl Hydroperoxide

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MIRQGKQPLPBZQM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H18O2/c1-7(2,3)6-8(4,5)10-9/h9H,6H2,1-5H3
IUPAC name chemrof:IUPAC_name 1,1,3,3-tetramethylbutyl Hydroperoxide
Molecular formula chemrof:molecular_formula C8H18O2
Molecular mass chemrof:molecular_mass 146.23
Monoisotopic mass chemrof:monoisotopic_mass 146.13068
SMILES string chemrof:smiles_string CC(C)(C)CC(C)(C)OO

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=5809-08-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.882 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3064011 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.272F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79877 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3105 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81991168 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
22988934-55da-4dc5-b437-4c54d448ed48 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d8992d25-c36d-4f14-a27b-74b89c369880 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
006e7cc6-1ecc-44a6-96bf-a179c6a64a39 Environmental → Air → Indoor EF 3.1 kg 2
093a6925-ebab-4341-b5af-7be5df800add Environmental → Air → Long-term EF 3.1 kg 0
848bb479-84f4-463f-9eb3-e1e9984b2977 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0bcb827f-fd16-4392-a24b-fd5072cfcc85 Environmental → Air → Unknown EF 3.1 kg 2
9e5b7805-c9d6-449c-bedd-791e63a9cd32 Environmental → Ground → Agricultural EF 3.1 kg 2
a721b17d-0ea7-401b-984a-efbd04276f25 Environmental → Ground → Non-agricultural EF 3.1 kg 2
36e2dc0f-8ef2-4616-a06a-ec4d4dd1ae9c Environmental → Ground → Unknown EF 3.1 kg 2
17530109-bac2-4e9a-87c9-d34c502d9b6d Environmental → Water → Long-term EF 3.1 kg 0
7e4ad4a3-b70d-42f3-997a-6db177218a60 Environmental → Water → Ocean EF 3.1 kg 2
77c09d78-141e-4232-832c-effc560993f0 Environmental → Water → Surface water EF 3.1 kg 2
be17e086-c2d0-477a-adbf-036edbe42cf7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2da051ef913908b5",
  "prefLabel": [
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      "@value": "1,1,3,3-tetramethylbutyl Hydroperoxide",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "2,4,4-Trimethyl-2-hydroperoxypentane",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4,4-Trimethyl-2-pentyl hydroperoxide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Neopentyl-2-propyl hydroperoxide",
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    },
    {
      "@value": "Hydroperoxide, 1,1,3,3-tetramethylbutyl",
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}

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