8.06147

Methylcyclohexane

for synthesis

• Synonym(s): Hexahydrotoluene
• Linear Formula: C₆H₁₁CH₃
• CAS Number: 108-87-2
• Molecular Weight: 98.19
• Beilstein/REAXYS Number: 505972
• MDL number: MFCD00001497
• UNSPSC Code: 12352001
• EC Index Number: 203-624-3
• NACRES: NA.22

Properties

• vapor density: 3.4 (vs air)
• Quality Level: 200
• vapor pressure: 37 mmHg ( 20 °C); 83.2 mmHg ( 37.7 °C)
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 545 °F
• potency: >86000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 6.7 %
• refractive index: n20/D 1.422 (lit.)
• bp: 101 °C (lit.)
• mp: −126 °C (lit.)
• transition temp: flash point -4 °C
• solubility: 0.014 g/L
• density: 0.77 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: CC1CCCCC1
• InChI: 1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
• InChI key: UAEPNZWRGJTJPN-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99 %
Density (d 20 °C/ 4 °C): 0.769 - 0.770
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS07,GHS08,GHS09
• signalword: Danger
• hcodes: H225 - H304 - H315 - H336 - H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 24.8 °F - closed cup
• flash_point_c: -4.0 °C - closed cup