1-(chloromethoxy)octane

• ChemBase ID: 150496
• Molecular Formular: C9H19ClO
• Molecular Mass: 178.69956
• Monoisotopic Mass: 178.11244291
• SMILES: CCCCCCCCOCCl
• Canonical SMILES: CCCCCCCCOCCl
• InChI: InChI=1S/C9H19ClO/c1-2-3-4-5-6-7-8-11-9-10/h2-9H2,1H3
• InChIKey: YUMNZEWYPUBSQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethoxy)octane
• IUPAC Traditional name: 1-(chloromethoxy)octane
• Synonyms: Chloromethyl octyl ether; 氯甲基辛基醚

Database IDs

• CAS Number: 24566-90-3
• MDL Number: MFCD00010767
• PubChem SID: 162244657; 24857718
• PubChem CID: 534743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.84048
• LogD (pH = 7.4): 3.84048
• Log P: 3.84048
• Molar Refractivity: 49.9295 cm^3
• Polarizability: 19.822416 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 192.2 °F; 89 °C
• Density: 0.924 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.437(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-40
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H351
• GHS Precautionary statements: P261-P281-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: 95%
• Contains: 0.1% 2,6-di-tert-butylphenol as stabilizer
• Linear Formula: CH3(CH2)7OCH2Cl

DETAILS

Sigma Aldrich - 294519

Packaging
5, 25 g in glass bottle
Application
Halomethylating agent for polymers.1,2