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Merck
CN

173614

4-Methylcyclohexanone

99%

Synonym(s):

Tetrahydro-p-cresol

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About This Item

Linear Formula:
CH3C6H9(=O)
CAS Number:
589-92-4
Molecular Weight:
112.17
EC Number:
209-665-3
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850461
MDL number:
MFCD00001643
FEMA Number:
3948
Beilstein/REAXYS Number:
506746

Key Documents

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Product Name

4-Methylcyclohexanone, 99%

InChI key

VGVHNLRUAMRIEW-UHFFFAOYSA-N

InChI

1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

SMILES string

CC1CCC(=O)CC1

assay

99%

form

liquid

refractive index

n20/D 1.4443 (lit.)

bp

169-171 °C (lit.)

density

0.914 g/mL at 25 °C (lit.)

functional group

ketone

Quality Level

100

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Application

4-Methylcyclohexanone was used in the synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

118.4 °F - closed cup

flash_point_c

48 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBK5163
STBJ3510
STBJ2134
STBG9507
STBD9602V

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Ming-Tsang Hsieh et al.
Organic & biomolecular chemistry, 7(16), 3285-3290 (2009-07-31)
Starting from 4-methylcyclohexanone (7), a concise total synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form, has been accomplished in 14 steps with an overall yield of 14.5%.

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