(2S)-2-ethyloxirane

• ChemBase ID: 88787
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: O1C[C@@H]1CC
• Canonical SMILES: CC[C@H]1CO1
• InChI: InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1
• InChIKey: RBACIKXCRWGCBB-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-ethyloxirane
• IUPAC Traditional name: (2S)-2-ethyloxirane
• Synonyms: (2S)-(-)-1,2-Epoxybutane; (2S)-(-)-3-Methyl-1,2-propenoxide; (2S)-(-)-2-Ethyloxirane 97+%; (2S)-Ethyloxirane; (S)-(-)-1,2-Epoxybutane; (2S)-乙基环氧乙烷; (S)-(-)-1,2-环氧丁烷

Database IDs

• CAS Number: 30608-62-9
• MDL Number: MFCD02683445
• PubChem SID: 24877883; 162075693
• PubChem CID: 10898629

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: 60-64°C
• Boiling Point: 63 °C(lit.); 63°C
• Flash Point: 10.4 °F; -12 °C; -12.2°C; -12°C(10°F)
• Density: 0.83; 0.837; 0.837 g/mL at 25 °C(lit.)
• Refractive Index: 1.3800; n20/D 1.386(lit.)
• Optical Rotation: [α]20/D -10°, neat; -10 (neat)

Safety Information

• Storage Warning: Toxic/Highly Flammable
• European Hazard Symbols: Flammable (F); Toxic (T); X
• UN Number: 3022; UN3022
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-36/37/38-40-52/53; 20/21/22-34-40
• Safety Statements: 16-26-27-36/37/39-45; 9-16-29-36/37-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H311-H331-H302-H315-H319-H335-H351-H402-H412; H225-H302-H312-H314-H332-H351
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3022 3/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C4H8O

DETAILS

Sigma Aldrich - 532363

Packaging
1, 5 g in glass bottle
Legal Information
Manufactured under license by Shasun Chemicals and Drugs Limited, using Jacobsen HKR technology.