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Key Documents

8.20788

Sigma-Aldrich

4-Methylcyclohexanone

for synthesis

Synonym(s):

4-Methylcyclohexanone, Tetrahydro-p-cresol

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About This Item

Linear Formula:
4-(CH3)C6H9(=O)
CAS Number:
589-92-4
Molecular Weight:
112.17
MDL number:
MFCD00001643
UNSPSC Code:
12352115
EC Index Number:
209-665-3
NACRES:
NA.22

vapor pressure

20 hPa ( 65 °C)

Quality Level

200

assay

≥98.0% (GC)

form

liquid

potency

800 mg/kg LD50, oral (Rat)

bp

169-171 °C/1013 hPa

mp

-41 °C

transition temp

flash point 48 °C

density

0.92 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

O=C1CCC(CC1)C

InChI

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

InChI key

VGVHNLRUAMRIEW-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.915 - 0.917
Identity (IR): passes test

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

118.4 °F - closed cup

flash_point_c

48 °C - closed cup

Certificates of Analysis (COA)

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