(2R)-2-dodecyloxirane

• ChemBase ID: 138207
• Molecular Formular: C14H28O
• Molecular Mass: 212.37152
• Monoisotopic Mass: 212.21401552
• SMILES: CCCCCCCCCCCC[C@@H]1CO1
• Canonical SMILES: CCCCCCCCCCCC[C@@H]1CO1
• InChI: InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3/t14-/m1/s1
• InChIKey: IOHJQSFEAYDZGF-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-dodecyloxirane
• IUPAC Traditional name: (2R)-2-dodecyloxirane
• Synonyms: (R)-(+)-1,2-Epoxytetradecane; (R)-(+)-1,2-环氧十四烷

Database IDs

• CAS Number: 116619-64-8
• MDL Number: MFCD00221499
• PubChem SID: 24871338; 162232465
• PubChem CID: 11769812

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3378086
• LogD (pH = 7.4): 5.3378086
• Log P: 5.3378086
• Molar Refractivity: 65.9963 cm^3
• Polarizability: 26.50424 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 95-96 °C/0.4 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.845 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.441(lit.)
• Optical Rotation: [α]25/D +9°, 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): C14H28O