ethylcyclohexane

• ChemBase ID: 111447
• Molecular Formular: C8H16
• Molecular Mass: 112.21264
• Monoisotopic Mass: 112.12520051
• SMILES: CCC1CCCCC1
• Canonical SMILES: CCC1CCCCC1
• InChI: InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
• InChIKey: IIEWJVIFRVWJOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylcyclohexane
• IUPAC Traditional name: ethylcyclohexane
• Synonyms: ETHYLCYCLOHEXANE; Ethylcyclohexane; 乙基环己烷

Database IDs

• CAS Number: 1678-91-7
• EC Number: 216-835-0
• MDL Number: MFCD00001523
• Beilstein Number: 1900337
• PubChem SID: 162103257; 24894446
• PubChem CID: 15504

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3989997
• LogD (pH = 7.4): 3.3989997
• Log P: 3.3989997
• Molar Refractivity: 36.7556 cm^3
• Polarizability: 14.776336 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -111 °C(lit.); -111°C
• Boiling Point: 130-132 °C(lit.); 132°C
• Flash Point: 18 °C; 64.4 °F
• Auto Ignition Point: 504 °F
• Density: 0.788 g/mL at 25 °C(lit.); 0.792 g/ml
• Refractive Index: n20/D 1.432(lit.); n20/D 1.433
• Vapor Pressure: 25 mmHg ( 37.7 °C)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-65; R:18
• Safety Statements: 9-16-29-33-62; S:9-16-29
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• Explode Limits: 6.6 %
• GHS Hazard statements: H225-H304
• GHS Precautionary statements: P210-P301 + P310-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 1993 3/PG 2

Product Information

• Purity: ≥99%; ≥99.0% (GC); 95+%
• Grade: purum
• Linear Formula: C6H11C2H5

DETAILS

MP Biomedicals - 05219203

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E19154

Packaging
25, 100 g in glass bottle