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Merck

418064

tert-Butyl hydroperoxide solution

5.0-6.0 M in nonane

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
UNSPSC Code:
12162002
NACRES:
NA.23
PubChem Substance ID:
24866199
MDL number:
MFCD00002130
Beilstein/REAXYS Number:
1098280

Key Documents

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InChI

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

SMILES string

CC(C)(C)OO

InChI key

CIHOLLKRGTVIJN-UHFFFAOYSA-N

form

liquid

reaction suitability

reagent type: oxidant

concentration

5.0-6.0 M in nonane

impurities

<4% water

refractive index

n20/D 1.399

density

0.817 g/mL at 25 °C

storage temp.

2-8°C

Quality Level

200

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Related Categories

Application

Asymmetric Ketone Hydrogenation

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

5.2 - Organic peroxides and self-reacting hazardous materials

wgk

WGK 3

flash_point_f

84.2 °F - closed cup

flash_point_c

29 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Class II Designated Chemical Substances

prtr

Group 5: Self-reactive substances + Organic peroxides + Hazardous rank II + 2nd self-reactive materials

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

418064-250ML: + 418064-BULK: + 418064-50ML:4548173957340 + 418064-VAR:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ2858
MKCK4827
MKCK2186
MKCH2291
MKCD4505

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Aldrichimica Acta, 12, 63-63 (1979)
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
Qiong Tang et al.
Ultrasonics sonochemistry, 20(5), 1168-1175 (2013-03-30)
This work investigated the ultrasonic assisted oxidative desulfurization of bunker-C oil with TBHP/MoO3 system. The operational parameters for the desulfurization procedure such as ultrasonic irradiation time, ultrasonic wave amplitude, catalyst initial concentration and oxidation agent initial concentration were studied. The
Younghwa Kim et al.
Food chemistry, 137(1-4), 136-141 (2012-12-04)
Oligomeric and polymeric procyanidins have been reported to possess different antioxidant capacities. However, the intracellular antioxidant mechanisms of oligomeric and polymeric procyanidins are still poorly understood. In this study, we evaluated the cytoprotective effects of the oligomeric procyanidin fraction (OPF)
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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