ethenylcyclopentane

• ChemBase ID: 148525
• Molecular Formular: C7H12
• Molecular Mass: 96.17018
• Monoisotopic Mass: 96.09390038
• SMILES: C=CC1CCCC1
• Canonical SMILES: C=CC1CCCC1
• InChI: InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h2,7H,1,3-6H2
• InChIKey: BEFDCLMNVWHSGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenylcyclopentane
• IUPAC Traditional name: ethenylcyclopentane
• Synonyms: Ethenylcyclopentane; Vinylcyclopentane; 乙烯基环戊烷

Database IDs

• CAS Number: 3742-34-5
• EC Number: 223-133-8
• MDL Number: MFCD00001386
• PubChem SID: 24847027; 162242700
• PubChem CID: 77345

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.650443
• LogD (pH = 7.4): 2.650443
• Log P: 2.650443
• Molar Refractivity: 32.1987 cm^3
• Polarizability: 12.70021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 97 °C(lit.); 97°C
• Flash Point: 10 °C; 10°C(50°F); 50 °F
• Density: 0.704; 0.704 g/mL at 25 °C(lit.)
• Refractive Index: 1.436; n20/D 1.436(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11
• Safety Statements: 16-29-33; 33
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Linear Formula: C5H9CH=CH2

DETAILS

Sigma Aldrich - 111392

Packaging
1 g in ampule