ethylcyclopentane

• ChemBase ID: 111919
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: CCC1CCCC1
• Canonical SMILES: CCC1CCCC1
• InChI: InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
• InChIKey: IFTRQJLVEBNKJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylcyclopentane
• IUPAC Traditional name: ethylcyclopentane
• Synonyms: ETHYL CYCLOPENTANE; Ethylcyclopentane; 乙基环戊烷

Database IDs

• CAS Number: 1640-89-7
• EC Number: 216-686-1
• MDL Number: MFCD00001389
• PubChem SID: 162097142; 24847002
• PubChem CID: 15431

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.954431
• LogD (pH = 7.4): 2.954431
• Log P: 2.954431
• Molar Refractivity: 32.1546 cm^3
• Polarizability: 12.929294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -138 °C(lit.); -138°C
• Boiling Point: 103 °C(lit.); 103°C
• Flash Point: 16 °C; 60.8 °F
• Auto Ignition Point: 500 °F
• Density: 0.763 g/ml; 0.763 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.419(lit.)
• Vapor Pressure: 72.8 mmHg ( 37.7 °C)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: GY4450000
• European Hazard Symbols: Flammable (F)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11; R:11-18
• Safety Statements: 16-29-33; S:9-16-29
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• Explode Limits: 6.7 %
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 2

Product Information

• Purity: 98%
• Linear Formula: C5H9C2H5

DETAILS

MP Biomedicals - 05221711

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 110752

Packaging
1 g in ampule