tert-Butyl peroxyacetate

C₆H₁₂O₃CAS 107-71-1132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Density: 0.9415 g/mL (at 20 °C)
Boiling point: 42–43 °C (at 11 Torr)
logP: 1.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor19.4% of notifiers
H242 Heating may cause a fire19.6% of notifiers
H302 Harmful if swallowed11.3% of notifiers
H317 May cause an allergic skin reaction20.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled19.4% of notifiers
H411 Toxic to aquatic life with long lasting effects16.9% of notifiers

Aggregated from 629 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, P501

Identifiers

CAS number

107-71-1

SMILES

CC(=O)OOC(C)(C)C

InChIKey

SWAXTRYEYUTSAP-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all

Ethaneperoxoic acid, 1,1-dimethylethyl ester
Peroxyacetic acid, tert-butyl ester
tert-Butyl peracetate
Lupersol 70
Acetyl tert-butyl peroxide
Perbutyl A
Kayabutyl A
Trigonox F-C 50
Kayabutyl A 50T
Esperox 12MD
NSC 118417
Luperox 7M75
Trigonox F
Luperox 7M50
tert-Pentyl peroxy acetate

Work with tert-Butyl peroxyacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl acetate540-88-557 % similar tert-Butyl peroxypivalate927-07-150 % similar Di-tert-butoxydiacetoxysilane13170-23-548 % similar Acetic anhydride108-24-743 % similar tert-Butyl peroxybenzoate614-45-941 % similar Di-tert-butyl peroxide110-05-440 % similar Trimethylsilyl acetate2754-27-040 % similar Methyltriacetoxysilane4253-34-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0 L-Leucic acid13748-90-8

Elsewhere

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