methylcyclopentane

• ChemBase ID: 128355
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CC1CCCC1
• Canonical SMILES: CC1CCCC1
• InChI: InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
• InChIKey: GDOPTJXRTPNYNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylcyclopentane
• IUPAC Traditional name: methylcyclopentane
• Synonyms: Methylcyclopentane; Methylcyclopentane; 甲基环戊烷

Database IDs

• CAS Number: 96-37-7
• EC Number: 202-503-2
• MDL Number: MFCD00001382
• Beilstein Number: 1900214
• PubChem SID: 24884701; 24896889; 24884699; 162222663
• PubChem CID: 7296
• Chemspider ID: 7024
• Wikipedia Title: Methylcyclopentane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5098624
• LogD (pH = 7.4): 2.5098624
• Log P: 2.5098624
• Molar Refractivity: 27.5536 cm^3
• Polarizability: 11.082252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Colorless liquid
• Melting Point: -142 °C(lit.); -142.4 °C; -143°C
• Boiling Point: 71.8 °C; 71-72°C; 72 °C(lit.)
• Flash Point: -20.2 °F; -23°C(-9°F); -29 °C
• Auto Ignition Point: 624 °F
• Density: 0.748; 0.748 g/mL at 20 °C; 0.749 g/cm^3; 0.749 g/mL at 25 °C(lit.)
• Refractive Index: 1.4090; n20/D 1.409(lit.); n20/D 1.410
• Vapor Pressure: 232.8 mmHg ( 37.7 °C)

Safety Information

• RTECS: GY4640000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 2298; UN2298
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-36/37/38-65; 11-65
• Safety Statements: 16-26-33-36-62; 33-36
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• Explode Limits: 8.35 %
• GHS Hazard statements: H225-H302-H304-H315-H319-H335; H225-H304
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P261-P301 + P310-P305 + P351 + P338-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2298 3/PG 2

Product Information

• Purity: ≥95.0% (GC); ≥99.5% (GC); 96%; 97%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C5H9CH3

DETAILS

Sigma Aldrich - M39407

Packaging
100, 500 mL in glass bottle
5 mL in ampule