2-(propan-2-yl)oxirane

• ChemBase ID: 302574
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: CC(C)C1CO1
• Canonical SMILES: CC(C1OC1)C
• InChI: InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3
• InChIKey: REYZXWIIUPKFTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)oxirane
• IUPAC Traditional name: 2-isopropyloxirane
• Synonyms: Isopropyloxirane; 1,2-Epoxy-3-methylbutane; 1,2-环氧-3-甲基丁烷

Database IDs

• CAS Number: 1438-14-8
• EC Number: 215-869-3
• MDL Number: MFCD02683501
• Beilstein Number: 102418

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2570947
• LogD (pH = 7.4): 1.2570947
• Log P: 1.2570947
• Molar Refractivity: 24.4579 cm^3
• Polarizability: 9.900833 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72-75°C
• Flash Point: -12°C(10°F)
• Density: 0.815
• Refractive Index: 1.3915

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 9-16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98+%