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173614

4-Methylcyclohexanone

Name: 4-Methylcyclohexanone
Brand: ALDRICH

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

Beilstein/REAXYS Number:

506746

FEMA Number:

3948

Assay:

99%

Form:

liquid

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Properties

Quality Level

100

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

SMILES string

CC1CCC(=O)CC1

InChI

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

InChI key

VGVHNLRUAMRIEW-UHFFFAOYSA-N

Description

Application

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

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pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H302

pcodes

P210 - P301 + P312 + P330

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

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A concise total synthesis of (+/-)-acutifolone A.

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%.

Global Trade Item Number

SKU	GTIN
173614-100ML	04061838751966
173614-25ML	04061836674410
173614-500ML	04061836691370