(2R)-2-decyloxirane

• ChemBase ID: 138229
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: CCCCCCCCCC[C@@H]1CO1
• Canonical SMILES: CCCCCCCCCC[C@H]1OC1
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3/t12-/m1/s1
• InChIKey: MPGABYXKKCLIRW-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-decyloxirane
• IUPAC Traditional name: (2R)-2-decyloxirane
• Synonyms: (R)-(+)-1,2-Epoxydodecane; (R)-(+)-1,2-环氧十二烷

Database IDs

• CAS Number: 109856-85-1
• MDL Number: MFCD00221496
• PubChem SID: 24871335; 162232487
• PubChem CID: 11063091

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4486713
• LogD (pH = 7.4): 4.4486713
• Log P: 4.4486713
• Molar Refractivity: 56.7943 cm^3
• Polarizability: 22.812204 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 124-125 °C/15 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 0.844 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436(lit.)
• Optical Rotation: [α]25/D +10°, 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): C12H24O