8.05807

3-Methylcyclohexanol

(mixture of cis- and trans isomers) for synthesis

• Synonym(s): 3-Methylcyclohexanol
• 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

Properties

• vapor pressure: 1.7 hPa ( 25 °C)
• Quality Level: 200
• 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

Description

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

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H332
• Precautionary Statements: P261 - P271 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup