tert-butyl hydroperoxide

CHEBI:64090 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:61050

Chemical structure

Computed structure properties
Molecular formula	C4H10O2
Charge	0
Average mass	90.122 Da
Monoisotopic mass	90.06808 Da
Source	ChEBI
InChIKey	CIHOLLKRGTVIJN-UHFFFAOYSA-N

SMILES

CC(C)(C)OO

InChI

InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

Also called

1,1-Dimethylethyl hydroperoxide (EXACT_SYNONYM)— chebi
2-Hydroperoxy-2-methylpropane (EXACT_SYNONYM)— chebi
Dimethylethyl hydroperoxide (EXACT_SYNONYM)— chebi
Hydroperoxyde de butyle tertiaire (EXACT_SYNONYM)— chebi
TBHP (EXACT_SYNONYM)— chebi
Tertiary-butyl hydroperoxide (EXACT_SYNONYM)— chebi
t-Butylhydroperoxide (EXACT_SYNONYM)— chebi
t-butyl hydroperoxide (EXACT_SYNONYM)— chebi
tert-Butylhydroperoxide (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:75-91-2
reaxys:1098280

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

wikipedia.en:Tert-Butyl_hydroperoxide

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:64090`	tert-butyl hydroperoxide	`antibioticmech:chebi-4d03952fad`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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