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Merck
CN

B92303

4-tert-Butylcyclohexanone

99%

Synonym(s):

4-(1,1-Dimethylethyl)cyclohexanone, 4-tert-Butylcyclohexanone, p-tert-Butylcyclohexanone

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About This Item

Linear Formula:
(CH3)3CC6H9(=O)
CAS Number:
98-53-3
Molecular Weight:
154.25
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892128
EC Number:
202-678-5
Beilstein/REAXYS Number:
507309
MDL number:
MFCD00001642

Key Documents

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Product Name

4-tert-Butylcyclohexanone, 99%

InChI key

YKFKEYKJGVSEIX-UHFFFAOYSA-N

InChI

1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3

SMILES string

CC(C)(C)C1CCC(=O)CC1

assay

99%

form

crystals

bp

113-116 °C/20 mmHg (lit.)

mp

47-50 °C (lit.)

Quality Level

100

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Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H412

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

204.8 °F - closed cup

flash_point_c

96 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK3152
STBH5124
STBF9157V
STBF4743V
STBB8789V

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Zhenlan Fang et al.
Angewandte Chemie (International ed. in English), 54(25), 7234-7254 (2015-06-04)
Defect engineering in metal-organic frameworks (MOFs) is an exciting concept for tailoring material properties, which opens up novel opportunities not only in sorption and catalysis, but also in controlling more challenging physical characteristics such as band gap as well as
Andrew F M Johnstone et al.
Toxicology in vitro : an international journal published in association with BIBRA, 69, 104989-104989 (2020-09-04)
The Hard-Soft Acid and Base hypothesis can be used to predict the potential bio-reactivity (electrophilicity) of a chemical with intracellular proteins, resulting in neurotoxicity. Twelve chemicals predicted to be neurotoxic were evaluated in vitro in rat dorsal root ganglia (DRG)
Selvedin Telalović et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 17(7), 2077-2088 (2011-01-25)
Bimetallic three-dimensional amorphous mesoporous materials, Al-Zr-TUD-1 materials, were synthesised by using a surfactant-free, one-pot procedure employing triethanolamine (TEA) as a complexing reagent. The amount of aluminium and zirconium was varied in order to study the effect of these metals on

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