cyclopentanone

• ChemBase ID: 74484
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: O=C1CCCC1
• Canonical SMILES: O=C1CCCC1
• InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
• InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanone
• IUPAC Traditional name: cyclopentanone
• Synonyms: ketocyclopentane; adipic ketone; Cyclopentanone; Cyclopentan-1-one; CYCLOPENTANONE; 环戊酮

Database IDs

• CAS Number: 120-92-3
• EC Number: 204-435-9
• MDL Number: MFCD00001409
• Beilstein Number: 605573
• Merck Index: 142743
• PubChem SID: 162039403; 24901935; 24892352; 24846157; 24857921
• PubChem CID: 8452
• CHEBI ID: 16486
• CHEMBL: 18620
• Chemspider ID: 8141
• FEMA ID: 3910
• KEGG ID: C00557
• Unique Ingredient Identifier: 220W81TN3S
• Wikipedia Title: Cyclopentanone
• Flavis Number: 7.149

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0436256
• LogD (pH = 7.4): 1.0436256
• Log P: 1.0436256
• Molar Refractivity: 23.6464 cm^3
• Polarizability: 9.282628 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in water
• Apperance: clear, colorless liquid
• Melting Point: -51 °C(lit.); -51°C; -58.2°C
• Boiling Point: 130°C; 130.6°C; 130-131 °C(lit.); 130-131°C
• Flash Point: 26 °C; 30 °C; 30°C(86°F); 86 °F
• Density: 0.949; 0.95 g/cm^3, liquid; 0.95 g/ml; 0.951 g/mL at 25 °C(lit.)
• Refractive Index: 1.4370; n20/D 1.437; n20/D 1.437(lit.)

Safety Information

• Storage Warning: Flammable
• RTECS: GY4725000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2245; UN2245
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/38
• Safety Statements: 23
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2245 3/PG 3

Product Information

• Purity: ≥99%; ≥99%; ≥99.0% (GC); ≥99.5% (GC); 97%; 99%
• Grade: analytical standard; Halal; Kosher; puriss.; ReagentPlus®
• Impurities: ≤0.5% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C5H8(=O)

DETAILS

MP Biomedicals - 02150748

Purity: 99+%
1 ml = approx. 0.95 g

Sigma Aldrich - W391018

Packaging
1 kg in glass bottle
1 sample in glass bottle
5, 10 kg in steel drum

Sigma Aldrich - C112402

Packaging
100 mL in glass bottle
2 L in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC