1,1-dimethylpropyl Hydroperoxide

2-Ethyl-2-propyl hydroperoxide
2-Hydroperoxy-2-methylbutane
Hydroperoxide, 1,1-dimethylpropyl
Luperox TAH
Luperox TAH 85
Luperox TAHP
Peroxan AHP
t-Amyl hydroperoxide
tert-Amyl hydrogen peroxide
tert-Amyl hydroperoxide
tert-Pentyl hydroperoxide
Trigonox TAHP
Trigonox TAHP-w 85

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XRXANEMIFVRKLN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name	1,1-dimethylpropyl Hydroperoxide
Molecular formula chemrof:molecular_formula	C5H12O2
Molecular mass chemrof:molecular_mass	104.149
Monoisotopic mass chemrof:monoisotopic_mass	104.08373
SMILES string chemrof:smiles_string	CCC(C)(C)OO

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=3425-61-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.020.293	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6029256	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8DSG8F2WBP	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J69.507F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/76962	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27270235	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d7672f4f-edcd-48a6-867a-019497bc5d9a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
7c7fc6bc-82a6-4f56-93ca-043d506668e5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
afae7191-6632-4023-b570-91be00c6c886	Environmental → Air → Indoor	EF 3.1	kg	4
9026c12d-66aa-4268-a39e-c3fc04c98f0b	Environmental → Air → Long-term	EF 3.1	kg	0
3981d17b-bc32-4849-bc7e-6d71d6aa4388	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
a6d49f6d-4509-4524-b505-8e62ea54672d	Environmental → Air → Unknown	EF 3.1	kg	4
c56505f8-827a-4508-8dd8-fd056100c32f	Environmental → Ground → Agricultural	EF 3.1	kg	4
583265f3-6af7-4aea-8e42-addf76595005	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
780dbb58-383e-40d1-b026-dae449a11c0d	Environmental → Ground → Unknown	EF 3.1	kg	4
612da7fa-5635-468b-8ab3-a623892c2f46	Environmental → Water → Long-term	EF 3.1	kg	0
026c1468-8423-4b79-9875-7ee64910b588	Environmental → Water → Ocean	EF 3.1	kg	4
4b2bb06e-0d06-4217-8a89-fd28806dadd9	Environmental → Water → Surface water	EF 3.1	kg	4
428dd966-0bba-44a7-a8c0-410b8bb19472	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-f1d88d43a526d655",
  "prefLabel": [
    {
      "@value": "1,1-dimethylpropyl Hydroperoxide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethyl-2-propyl hydroperoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroperoxy-2-methylbutane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Hydroperoxide, 1,1-dimethylpropyl",
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    },
    {
      "@value": "Luperox TAH",
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    {
      "@value": "tert-Amyl hydrogen peroxide",
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}

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1,1-dimethylpropyl Hydroperoxide

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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