2,3-dimethyloxirane

• ChemBase ID: 109065
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: CC1OC1C
• Canonical SMILES: CC1OC1C
• InChI: InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3
• InChIKey: PQXKWPLDPFFDJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyloxirane
• IUPAC Traditional name: butylene oxide
• Synonyms: 2,3-EPOXYBUTANE; 2-Butene oxide; 2,3-Dimethyloxirane; 2,3-dimethyloxirane; 2,3-环氧丁烷; 1,2-二甲基环氧乙烷

Database IDs

• CAS Number: 3266-23-7
• EC Number: 221-877-8
• MDL Number: MFCD00066345
• Beilstein Number: 102413
• PubChem SID: 162095023; 24865521
• PubChem CID: 18632

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.78617454
• LogD (pH = 7.4): 0.78617454
• Log P: 0.78617454
• Molar Refractivity: 19.8811 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -14.8 °F; -26 °C
• Density: 0.804 g/mL at 20 °C(lit.)
• Hydrophobicity(logP): 0.766

Safety Information

• RTECS: EK3855000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3271 3/PG 2

Product Information

• Purity: ≥97.0% (GC); 95%
• Empirical Formula (Hill Notation): C4H8O

DETAILS

MP Biomedicals - 05209693

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 41034

Packaging
10 mL in glass bottle