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:
Molecular Weight:
114.19
MDL number:
UNSPSC Code:
12352104
EC Index Number:
209-709-1
NACRES:
NA.22
Assay:
≥98.0% (GC)
vapor pressure
1.7 hPa ( 25 °C)
Quality Level
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
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
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
Density (d 20 °C/ 4 °C): 0.916 - 0.918
Identity (IR): passes test
signalword
Warning
hcodes
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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