2-ethyloxirane

• ChemBase ID: 88327
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: O1C(C1)CC
• Canonical SMILES: CCC1CO1
• InChI: InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
• InChIKey: RBACIKXCRWGCBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyloxirane
• IUPAC Traditional name: 1,2-butyleneoxide
• Synonyms: 1-Butene oxide; α-Butylene oxide; 1,2-Butylene oxide; 1-Butene oxide; Ethyloxirane; 1,2-Epoxybutane; 1,2-BUTYLENE OXIDE; 1,2-Epoxybutane; 1,2-Butenoxide; 3-Methyl-1,2-propenoxide; 2-Ethyloxirane; 1,2-氧丁烷; 1-丁烯氧化物; 乙基环氧乙烷; 氧化丁烯; 环氧丁烷; 1,2-环氧丁烷

Database IDs

• CAS Number: 106-88-7
• EC Number: 203-438-2
• MDL Number: MFCD00005153
• Beilstein Number: 102411
• PubChem SID: 162075300; 24851904; 24846950; 24854476
• PubChem CID: 7834

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8921219
• LogD (pH = 7.4): 0.8921219
• Log P: 0.8921219
• Molar Refractivity: 19.9863 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -129.5°C
• Boiling Point: 61-65 °C(lit.); 63 °C(lit.); 63°C
• Flash Point: -15 °C; -15°C; 5 °F
• Auto Ignition Point: 698 °F
• Density: 0.829; 0.829 g/mL at 20 °C(lit.); 0.829 g/mL at 25 °C(lit.); 0.83 g/ml
• Refractive Index: n20/D 1.384; n20/D 1.384(lit.)
• Vapor Pressure: 140 mmHg ( 20 °C)
• Vapor Density: 2.2 (vs air)

Safety Information

• Storage Warning: Highly Flammable/Toxic
• RTECS: EK3675000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3022
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-36/37/38-40-52/53; R:11-20/21/22-36/37/38-40-52/53
• Safety Statements: 9-16-29-36/37-61; S:-16-29-61-36/37
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• Explode Limits: 19 %
• GHS Hazard statements: H225-H302-H312-H315-H319-H332-H335-H351-H412
• GHS Precautionary statements: P210-P261-P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3022 3/PG 2

Product Information

• Purity: ≥99%; ≥99.0% (GC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C4H8O

DETAILS

MP Biomedicals - 05201811

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 241342

Packaging
50 mL in glass bottle

Sigma Aldrich - 109975

Packaging
1 L in glass bottle
250 mL in glass bottle