2-tetradecyloxirane

• ChemBase ID: 146470
• Molecular Formular: C16H32O
• Molecular Mass: 240.42468
• Monoisotopic Mass: 240.24531564
• SMILES: CCCCCCCCCCCCCCC1CO1
• Canonical SMILES: CCCCCCCCCCCCCCC1OC1
• InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3
• InChIKey: DSZTYVZOIUIIGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tetradecyloxirane
• IUPAC Traditional name: 1,2-epoxyhexadecane
• Synonyms: 1,2-Epoxyhexadecane; 1,2-环氧十六烷

Database IDs

• CAS Number: 7320-37-8
• EC Number: 230-786-2
• MDL Number: MFCD00005151
• PubChem SID: 162240666; 24855727
• PubChem CID: 23741

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.226946
• LogD (pH = 7.4): 6.226946
• Log P: 6.226946
• Molar Refractivity: 75.1983 cm^3
• Polarizability: 30.196758 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 21-22 °C(lit.)
• Boiling Point: 175-180 °C/12 mmHg(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 0.846 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)

Safety Information

• RTECS: ML9450000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 85%
• Grade: technical grade
• Empirical Formula (Hill Notation): C16H32O

DETAILS

Sigma Aldrich - 260215

Packaging
100 mL in poly bottle
500 mL in glass bottle