tert-Butyl peroxybenzoate

C₁₁H₁₄O₃CAS 614-45-9194.23 g/mol

Open in Covalent MOL file

Peroxide

Properties

Molecular formula: C₁₁H₁₄O₃
Molar mass: 194.23 g/mol
Exact mass: 194.0943 Da
Density: 1.021 g/mL (at 25 °C)
Melting point: 8 °C
Boiling point: 75–76 °C (at 0.2 Torr)
Flash point: 93.4 °C (closed cup)
Water solubility: < 1 g/L (20 °C)
logP: 2.57Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H242 Heating may cause a fire92.8% of notifiers
H315 Causes skin irritation97.8% of notifiers
H317 May cause an allergic skin reaction76.9% of notifiers
H332 Harmful if inhaled74.2% of notifiers
H400 Very toxic to aquatic life76.8% of notifiers
H412 Harmful to aquatic life with long lasting effects51.3% of notifiers

Aggregated from 1,433 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, P501

Identifiers

CAS number

614-45-9

SMILES

CC(C)(C)OOC(=O)c1ccccc1

InChIKey

GJBRNHKUVLOCEB-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

32 names · show all

Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
Peroxybenzoic acid, tert-butyl ester
tert-Butyl alcohol, peroxybenzoate
tert-Butyl perbenzoate
tert-Butyl benzoyl peroxide
Benzoyl tert-butyl peroxide
Perbutyl Z
Esperox 10
Chaloxyd TBPB
Kayabutyl B
Luperox P
Trigonox C
Interox TBPB-HA-M 1
TC 5 (vulcanizer)
TC 5
CP 02
CP 02 (catalyst)
Chaloxyd TBPB-HA-M 1
TBPB-HA-M 1
NSC 674
Link-cup TBPB
t-Butyl peroxybenzoate
Trigonox C 50D
Norox TBPB
Trigonox 93
Luperox PXL
V 73
LQ-TBPB
TBPB
TBPB-HA-M 3
B 802799
Peroxan PB

Work with tert-Butyl peroxybenzoate

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

Benzoyl peroxide94-36-063 % similar Acetozone644-31-555 % similar Benzoic anhydride93-97-052 % similar Methyl benzoate93-58-352 % similar Neopentyl glycol dibenzoate4196-89-851 % similar Pentaerythrityl tetrabenzoate4196-86-547 % similar Ethyl benzoate93-89-047 % similar Isopropyl benzoate939-48-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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