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T75752

Sigma-Aldrich

3,3,5-Trimethylcyclohexanone

98%

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About This Item

Linear Formula:
(CH3)3C6H7(=O)
CAS Number:
873-94-9
Molecular Weight:
140.22
Beilstein:
507452
EC Number:
212-855-9
MDL number:
MFCD00019466
UNSPSC Code:
12352100
PubChem Substance ID:
24900462
NACRES:
NA.22

Quality Level

100

Assay

98%

refractive index

n20/D 1.445 (lit.)

bp

188-192 °C (lit.)

mp

−10 °C (lit.)

density

0.887 g/mL at 25 °C (lit.)

SMILES string

CC1CC(=O)CC(C)(C)C1

InChI

1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3

InChI key

POSWICCRDBKBMH-UHFFFAOYSA-N

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Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319,H335

Hazard Classifications

Eye Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

147.2 °F

Flash Point(C)

64 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Marie A F Delgove et al.
Organic process research & development, 22(7), 803-812 (2018-10-03)
Although Baeyer-Villiger monooxygenases (BVMOs) have gained attention in recent years, there are few cases of their upscaled application for lactone synthesis. A thermostable cyclohexanone monooxygenase from Thermocrispum municipale (TmCHMO) was applied to the oxidation of 3,3,5-trimethylcyclohexanone using a glucose dehydrogenase
Marie Af Delgove et al.
Journal of chemical technology and biotechnology (Oxford, Oxfordshire : 1986), 93(8), 2131-2140 (2018-08-03)
It is widely accepted that the poor thermostability of Baeyer-Villiger monooxygenases limits their use as biocatalysts for applied biocatalysis in industrial applications. The goal of this study was to investigate the biocatalytic oxidation of 3,3,5-trimethylcyclohexanone using a thermostable cyclohexanone monooxygenase
Coraline Simon et al.
Toxicology in vitro : an international journal published in association with BIBRA, 37, 121-133 (2016-10-19)
Endocrine activity of 65 compounds migrating from polycarbonate replacement plastic baby bottles was assessed using in vitro cell based assays (reporter gene assays) involving 7 nuclear receptors, i.e. human steroid hormones receptors (oestrogen, androgen, progesterone and glucocorticoid receptors), human thyroid

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