2-methyloxirane

• ChemBase ID: 129135
• Molecular Formular: C3H6O
• Molecular Mass: 58.07914
• Monoisotopic Mass: 58.04186481
• SMILES: CC1CO1
• Canonical SMILES: CC1CO1
• InChI: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
• InChIKey: GOOHAUXETOMSMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxirane
• IUPAC Traditional name: propylene oxide
• Synonyms: Propylene oxide; Epoxypropane; Propylene epoxide; 1,2-Propylene oxide; Methyl oxirane; 1,2-Epoxypropane; Propene oxide; Methyl ethylene oxide; Methylethylene oxide: PPO; PO; Propylene oxide; (±)-1,2-Epoxypropane; (±)-Methyloxirane; (±)-Propylene oxide; (+/-)-环氧丙烷; (±)-甲基环氧乙烷; 1,2-环氧丙烷; (±)-环氧丙烷

Database IDs

• CAS Number: 75-56-9
• EC Number: 200-879-2
• MDL Number: MFCD00005126
• Beilstein Number: 79763
• Merck Index: 147856
• PubChem SID: 24854416; 162223434; 24846968; 24868010; 24887962; 24870775; 24880314
• PubChem CID: 6378
• KEGG ID: C15508
• Wikipedia Title: Propylene_oxide

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

• Solubility: Appreciable in water
• Apperance: Colorless liquid; Liquid
• Melting Point: -112 °C; -112 °C(lit.); -112°C
• Boiling Point: 34 °C; 34 °C(lit.); 34-35°C
• Flash Point: -34.6 °F; -37 °C; -37°C (-34.6°F); -37°C(-35°F)
• Auto Ignition Point: 1378 °F; 747°C (1376.6°F)
• Density: 0.83; 0.83 g/mL at 25 °C(lit.); 0.830 g/cm3
• Refractive Index: 1.3660; n20/D 1.366; n20/D 1.366(lit.)
• Vapor Pressure: 29.43 psi ( 55 °C); 8.59 psi ( 20 °C)
• Vapor Density: 2 (vs air)

Safety Information

• RTECS: TZ2975000
• 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: 45-46-12-20/21/22-36/37/38
• Safety Statements: 53-45; R
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  4

  3

  2
• Explode Limits: 2.1-37%; 37 %
• GHS Hazard statements: H224-H302 + H312 + H332-H315-H319-H335-H340-H350; H224-H302-H312-H315-H319-H332-H335-H340-H350; H224-H340-H350-H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P201-P210-P261-P280-P305 + P351 + P338-P308 + P313; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1280 3/PG 1

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.7% (GC); 99%; 99+%
• Grade: analytical standard; puriss. p.a.; purum; ReagentPlus®; SAJ special grade
• Packaging: ampule of 500 mg
• Evaporation Residue: ≤0.005%
• Impurities: ≤0.1% water
• Cation Traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C3H6O

DETAILS

Sigma Aldrich - 240397

Packaging
100 mL in Sure/Seal™
5 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 110205

Packaging
1 L in Sure/Seal™
View returnable container options.
100, 500 mL in Sure/Seal™
18 L in Kilo-Lab™
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 24-6210

Suitability
for electron microscopy

Sigma Aldrich - 471968

Packaging
165, 365 lb in Kilo-Lab™
View returnable container options.
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC