(2R)-2-methyloxirane

• ChemBase ID: 150447
• Molecular Formular: C3H6O
• Molecular Mass: 58.07914
• Monoisotopic Mass: 58.04186481
• SMILES: C[C@@H]1CO1
• Canonical SMILES: C[C@@H]1CO1
• InChI: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1
• InChIKey: GOOHAUXETOMSMM-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-methyloxirane
• IUPAC Traditional name: (+)-propylene oxide
• Synonyms: (R)-(+)-Methyloxirane; (R)-(+)-1,2-Epoxypropane; (R)-(+)-Propylene oxide; (R)-1,2-Epoxypropane; (R)-Methyloxirane; (R)-(+)-1,2-环氧丙烷; (R)-(+)-甲基环氧乙烷; (R)-(+)-氧化丙烯; (R)-(+)-环氧丙烷 99%

Database IDs

• CAS Number: 15448-47-2
• MDL Number: MFCD00066211
• Beilstein Number: 79764
• Merck Index: 147856
• PubChem SID: 162244608; 24878434
• PubChem CID: 146261

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.36959952
• LogD (pH = 7.4): 0.36959952
• Log P: 0.36959952
• Molar Refractivity: 15.4623 cm^3
• Polarizability: 6.223392 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 33-34 °C(lit.); 34-35°C
• Flash Point: -34.6 °F; -37 °C; -37°C(-35°F)
• Density: 0.829; 0.829 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.366(lit.)
• Optical Rotation: [α]20/D +14°, neat

Safety Information

• RTECS: UJ2650000
• European Hazard Symbols: Highly flammable (F+); Toxic (T)
• UN Number: 1280; UN1280
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; I
• Risk Statements: 12-25; 45-46-12-20/21/22-36/37/38
• Safety Statements: 45; 53-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H301; H224-H340-H350-H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1280 3/PG 1

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C3H6O

DETAILS

Sigma Aldrich - 540048

Packaging
5, 25 g in ampule