cyclodecanone

• ChemBase ID: 79663
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: O=C1CCCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCC1
• InChI: InChI=1S/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2
• InChIKey: SXOZDDAFVJANJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclodecanone
• IUPAC Traditional name: cyclodecanone
• Synonyms: Cyclodecan-1-one; Cyclodecanone; 环癸酮

Database IDs

• CAS Number: 1502-06-3
• EC Number: 216-119-8
• MDL Number: MFCD00003713
• Beilstein Number: 1617127
• PubChem SID: 162044426; 24893185
• PubChem CID: 73918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.266469
• LogD (pH = 7.4): 3.266469
• Log P: 3.266469
• Molar Refractivity: 46.6514 cm^3
• Polarizability: 18.4969 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 21-24 °C(lit.)
• Boiling Point: 106-107 °C/12 mmHg(lit.)
• Flash Point: 208 °F; 98 °C
• Density: 0.958 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.482(lit.); n20/D 1.484

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 97%
• Grade: purum
• Linear Formula: C10H18(=O)

DETAILS

Sigma Aldrich - C96605

Packaging
5 g in glass bottle