2-octyloxirane

• ChemBase ID: 137123
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCCCCCC1CO1
• Canonical SMILES: CCCCCCCCC1CO1
• InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3
• InChIKey: AAMHBRRZYSORSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-octyloxirane
• IUPAC Traditional name: 2-octyloxirane
• Synonyms: 1-Decene oxide; 1,2-Epoxydecane; 1,2-环氧癸烷

Database IDs

• CAS Number: 2404-44-6
• EC Number: 219-295-4
• MDL Number: MFCD00005158
• Beilstein Number: 104132
• PubChem SID: 162231388; 24855734
• PubChem CID: 16993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5595338
• LogD (pH = 7.4): 3.5595338
• Log P: 3.5595338
• Molar Refractivity: 47.5923 cm^3
• Polarizability: 19.120914 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-93°C/14mm; 94 °C/15 mmHg(lit.)
• Flash Point: 172.4 °F; 78 °C; 78°C(172°F)
• Density: 0.84 g/mL at 25 °C(lit.); 0.840
• Refractive Index: 1.4290; n20/D 1.429(lit.)
• Vapor Pressure: 20 mmHg ( 100 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H227; H315-H319-H335
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; 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: 95%; 97%
• Empirical Formula (Hill Notation): C10H20O