2-hexadecyloxirane

• ChemBase ID: 302057
• Molecular Formular: C18H36O
• Molecular Mass: 268.47784
• Monoisotopic Mass: 268.27661577
• SMILES: CCCCCCCCCCCCCCCCC1CO1
• Canonical SMILES: CCCCCCCCCCCCCCCCC1CO1
• InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3
• InChIKey: QBJWYMFTMJFGOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hexadecyloxirane
• IUPAC Traditional name: 2-hexadecyloxirane
• Synonyms: 1-Octadecene oxide; 1,2-Epoxyoctadecane; 1,2-环氧十八烷

Database IDs

• CAS Number: 7390-81-0
• EC Number: 230-977-0
• MDL Number: MFCD00005152
• Beilstein Number: 115434

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.116083
• LogD (pH = 7.4): 7.116083
• Log P: 7.116083
• Molar Refractivity: 84.4003 cm^3
• Polarizability: 33.889606 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 30-35°C
• Boiling Point: 146-148°C/1mm
• Flash Point: 176°C(348°F)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: tech. 90%