cyclopentadecanone

• ChemBase ID: 110218
• Molecular Formular: C15H28O
• Molecular Mass: 224.38222
• Monoisotopic Mass: 224.21401552
• SMILES: O=C1CCCCCCCCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCCCCCCC1
• InChI: InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
• InChIKey: OSOIQJGOYGSIMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentadecanone
• IUPAC Traditional name: cyclopentadecanone
• Synonyms: Exaltone; Normuscone; Cyclopentadecanone; CYCLOPENTADECANONE; 环十五烷酮

Database IDs

• CAS Number: 502-72-7
• EC Number: 207-951-2
• MDL Number: MFCD00001266
• Beilstein Number: 1618444
• PubChem SID: 24892348; 24857867; 162095790
• PubChem CID: 10409

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.489312
• LogD (pH = 7.4): 5.489312
• Log P: 5.489312
• Molar Refractivity: 69.6564 cm^3
• Polarizability: 27.724466 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 62-66°C; 63-65 °C; 63-65 °C(lit.)
• Boiling Point: 120 °C/0.3 mmHg(lit.); 120°C/0.3mm
• Density: 0.897; 0.897 g/mL at 25 °C(lit.)

Safety Information

• RTECS: GY0900000
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95+%; 98%; 99%
• Grade: purum
• Linear Formula: C15H28(=O)

DETAILS

MP Biomedicals - 05214168

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C111201

Packaging
5 g in glass bottle