9-oxabicyclo[6.1.0]nonane

• ChemBase ID: 109629
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C1CCCC2OC2CC1
• Canonical SMILES: C1CCCC2C(CC1)O2
• InChI: InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2
• InChIKey: MELPJGOMEMRMPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-oxabicyclo[6.1.0]nonane
• IUPAC Traditional name: 9-oxabicyclo[6.1.0]nonane
• Synonyms: 9-Oxabicyclo[6.1.0]nonane; Epoxycyclooctane; Cyclooctene oxide; 1,2-EPOXYCYCLOOCTANE; 9-氧杂二环[6.1.0]壬烷; 环氧环辛烷; 氧化环辛烯

Database IDs

• CAS Number: 286-62-4; 4925-71-7
• EC Number: 206-010-3
• MDL Number: MFCD00005164
• Beilstein Number: 103543
• PubChem SID: 162096298; 24892345
• PubChem CID: 67513

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2566307
• LogD (pH = 7.4): 2.2566307
• Log P: 2.2566307
• Molar Refractivity: 36.3289 cm^3
• Polarizability: 14.698139 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-56 °C(lit.)
• Boiling Point: 55 °C/5 mmHg(lit.)
• Flash Point: 145.4 °F; 63 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1325
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-22-36/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302-H315-H319
• GHS Precautionary statements: P210-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C8H14O

DETAILS

MP Biomedicals - 05211928

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C110507

Packaging
5 g in glass bottle

Sigma Aldrich - 29657

Physical form
solidified mass or fragments