2-propyloxirane

• ChemBase ID: 149884
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: CCCC1CO1
• Canonical SMILES: CCCC1CO1
• InChI: InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3
• InChIKey: SYURNNNQIFDVCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propyloxirane
• IUPAC Traditional name: 2-propyloxirane
• Synonyms: Propyloxirane; 1,2-Epoxypentane; 丙基环氧乙烷; 1,2-环氧戊烷

Database IDs

• CAS Number: 1003-14-1
• EC Number: 213-701-3
• MDL Number: MFCD00192124
• PubChem SID: 24865484; 162244046
• PubChem CID: 13853

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3366905
• LogD (pH = 7.4): 1.3366905
• Log P: 1.3366905
• Molar Refractivity: 24.5873 cm^3
• Polarizability: 9.900833 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 89-90 °C/750 mmHg(lit.)
• Flash Point: 10.4 °F; -12 °C
• Density: 0.83 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.396(lit.)

Safety Information

• RTECS: SA2700000
• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C5H10O

DETAILS

Sigma Aldrich - 407747

Packaging
10 mL in ampule