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Merck

8.05807

3-Methylcyclohexanol

(mixture of cis- and trans isomers) for synthesis

Synonym(s):

3-Methylcyclohexanol

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About This Item

Empirical Formula (Hill Notation):
C7H14O
CAS Number:
591-23-1
Molecular Weight:
114.19
MDL number:
MFCD00001446
UNSPSC Code:
12352104
EC Index Number:
209-709-1
NACRES:
NA.22
Assay:
≥98.0% (GC)

Key Documents

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SMILES string

OC1CC(CCC1)C

InChI

1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3

InChI key

HTSABYAWKQAHBT-UHFFFAOYSA-N

vapor pressure

1.7 hPa ( 25 °C)

assay

≥98.0% (GC)

autoignition temp.

295 °C

expl. lim.

1.3 % (v/v)

mp

-41 °C

transition temp

flash point 70 °C

density

0.92 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

200

General description

3-Methylcyclohexanol is a cyclic secondary alcohol serves primarily as an intermediate in the synthesis of ketones, such as 3-methylcyclohexanone, a precursor for key compounds like isophorone. Its reactivity allows it to undergo transformations like oxidation, dehydration, and substitution, enabling the synthesis of diverse compounds.

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.916 - 0.918
Identity (IR): passes test

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H332

Hazard Classifications

Acute Tox. 4 Inhalation

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

Certificates of Analysis (COA)

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