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.
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
Equivalent identifiers for this same structure in other resources.
- cas:75-91-2
- reaxys:1098280
- wikipedia.en:Tert-Butyl_hydroperoxide
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.