(2R)-2-tridecyloxirane

• ChemBase ID: 138121
• Molecular Formular: C15H30O
• Molecular Mass: 226.3981
• Monoisotopic Mass: 226.22966558
• SMILES: CCCCCCCCCCCCC[C@@H]1CO1
• Canonical SMILES: CCCCCCCCCCCCC[C@@H]1CO1
• InChI: InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3/t15-/m1/s1
• InChIKey: QMIBIXKZPBEGTE-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-tridecyloxirane
• IUPAC Traditional name: (2R)-2-tridecyloxirane
• Synonyms: (R)-(+)-1,2-Epoxypentadecane; (R)-(+)-1,2-环氧十五烷

Database IDs

• CAS Number: 96938-06-6
• MDL Number: MFCD00221489
• PubChem SID: 162232379; 24871340
• PubChem CID: 11107067

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7823772
• LogD (pH = 7.4): 5.7823772
• Log P: 5.7823772
• Molar Refractivity: 70.5973 cm^3
• Polarizability: 28.35045 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 128 °C/2.5 mmHg(lit.)
• Flash Point: 100 °C; 212 °F
• Density: 0.846 g/mL at 25 °C(lit.)
• Optical Rotation: [α]25/D +8°, 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): C15H30O