2-[(decyloxy)methyl]oxirane; 2-[(nonyloxy)methyl]oxirane; 2-[(octyloxy)methyl]oxirane

• ChemBase ID: 149250
• Molecular Formular: C36H72O6
• Molecular Mass: 600.95328
• Monoisotopic Mass: 600.53289002
• SMILES: CCCCCCCCCCOCC1CO1.CCCCCCCCCOCC1CO1.CCCCCCCCOCC1CO1
• Canonical SMILES: CCCCCCCCOCC1CO1.CCCCCCCCCOCC1CO1.CCCCCCCCCCOCC1CO1
• InChI: InChI=1S/C13H26O2.C12H24O2.C11H22O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13;1-2-3-4-5-6-7-8-9-13-10-12-11-14-12;1-2-3-4-5-6-7-8-12-9-11-10-13-11/h13H,2-12H2,1H3;12H,2-11H2,1H3;11H,2-10H2,1H3
• InChIKey: ROYIYXFLFCALMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(decyloxy)methyl]oxirane; 2-[(nonyloxy)methyl]oxirane; 2-[(octyloxy)methyl]oxirane
• IUPAC Traditional name: 2-[(decyloxy)methyl]oxirane; 2-[(nonyloxy)methyl]oxirane; 2-[(octyloxy)methyl]oxirane
• Synonyms: Octyl/decyl glycidyl ether; C8-10-烷基缩水甘油醚

Database IDs

• CAS Number: 68609-96-1
• EC Number: 271-845-2
• MDL Number: MFCD00192367
• PubChem SID: 24865826; 162243418
• PubChem CID: 71311396

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.957127
• LogD (pH = 7.4): 3.957127
• Log P: 3.957127
• Molar Refractivity: 63.2368 cm^3
• Polarizability: 25.32948 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 0.9 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/38-40-42/43
• Safety Statements: 23-26-36
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H319-H334-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: technical grade

DETAILS

Sigma Aldrich - 412821

Packaging
250 mL in poly bottle