(2R)-2-nonyloxirane

• ChemBase ID: 138319
• Molecular Formular: C11H22O
• Molecular Mass: 170.29178
• Monoisotopic Mass: 170.16706532
• SMILES: CCCCCCCCC[C@@H]1CO1
• Canonical SMILES: CCCCCCCCC[C@@H]1CO1
• InChI: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-11-10-12-11/h11H,2-10H2,1H3/t11-/m1/s1
• InChIKey: LXVAZSIZYQIZCR-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-nonyloxirane
• IUPAC Traditional name: (2R)-2-nonyloxirane
• Synonyms: (R)-(+)-Nonyloxirane; (R)-(+)-1,2-Epoxyundecane; (R)-(+)-壬基环氧乙烷; (R)-(+)-1,2-环氧十一烷

Database IDs

• CAS Number: 123493-71-0
• MDL Number: MFCD00221491
• PubChem SID: 162232575
• PubChem CID: 15965730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0041027
• LogD (pH = 7.4): 4.0041027
• Log P: 4.0041027
• Molar Refractivity: 52.1933 cm^3
• Polarizability: 20.966442 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103 °C/10 mmHg(lit.)
• Flash Point: 158 °F; 70 °C
• Density: 0.842 g/mL at 25 °C(lit.)
• Optical Rotation: [α]25/D +11°, neat

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H22O