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19997

Sigma-Aldrich

tert-Butyl hydroperoxide solution

packed in FEP bottles, ~5.5 M in decane (over molecular sieve 4Å)

Synonym(s):

1,1-Dimethylethyl hydroperoxide, 2-Hydroperoxy-2-methylpropane, TBHP

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About This Item

Linear Formula:
(CH3)3COOH
CAS Number:
75-91-2
Molecular Weight:
90.12
Beilstein:
1098280
MDL number:
MFCD00002130
UNSPSC Code:
12162002
PubChem Substance ID:
57647815
NACRES:
NA.23

form

liquid

quality

packed in FEP bottles

reaction suitability

reagent type: oxidant

concentration

52.9-66.8% (iodometric)
~5.5 M in decane (over molecular sieve 4Å)

refractive index

n20/D 1.403

density

0.83 g/mL at 20 °C

storage temp.

2-8°C

SMILES string

CC(C)(C)OO

InChI

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

InChI key

CIHOLLKRGTVIJN-UHFFFAOYSA-N

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Application

Used in oxidative desulfurization of fuelsand as an oxidant for the epoxidation of styrene.

Other Notes

Safe and stable oxidant for the Sharpless epoxidation

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Dam. 1 - Flam. Liq. 3 - Muta. 2 - Org. Perox. F - Skin Corr. 1C - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

5.2 - Organic peroxides and self-reacting hazardous materials

WGK

WGK 3

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Controlled synthesis of a- and c-Fe2O3 nanoparticles via thermolysis of PVA gels and studies on a-Fe2O3 catalyzed styrene epoxidation.
Bepari RA,et al.
Journal of Saudi Chemical Society (2014)
K. Akashi et al.
The Journal of Organic Chemistry, 43, 2063-2063 (1978)
Oxidative desulfurization of fuel oil. Part I. Oxidation of dibenzothiphenes using tert-butyl hydroperoxide
Wang D,et al.
Applied Catalysis A: General, 253, 91-99 (2003)
Maxim O Ratnikov et al.
Journal of the American Chemical Society, 135(4), 1549-1557 (2013-01-10)
A general mechanism is proposed for transition metal-catalyzed oxidative Mannich reactions of N,N-dialkylanilines with tert-butyl hydroperoxide (TBHP) as the oxidant. The mechanism consists of a rate-determining single electron transfer (SET) that is uniform from 4-methoxy- to 4-cyano-N,N-dimethylanilines. The tert-butylperoxy radical
Qicai Xue et al.
Chemical communications (Cambridge, England), 49(35), 3700-3702 (2013-03-29)
A new synthetic approach toward direct C-N bond formation through sp(3) C-H activation has been developed under metal-free conditions. Both primary and secondary benzylic C-H substrates could react smoothly with various amines to give only mono-amination products with good to
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