2-[2-(hexyloxy)ethoxy]ethan-1-ol

• ChemBase ID: 146890
• Molecular Formular: C10H22O3
• Molecular Mass: 190.27988
• Monoisotopic Mass: 190.15689456
• SMILES: CCCCCCOCCOCCO
• Canonical SMILES: CCCCCCOCCOCCO
• InChI: InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3
• InChIKey: GZMAAYIALGURDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(hexyloxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(hexyloxy)ethoxy]ethanol
• Synonyms: C6E2; 2-(2-Hexyloxyethoxy)ethanol; Hexyldiglycol; Di(ethylene glycol) hexyl ether; 2-(2-n-Hexyloxyethoxy)ethanol; Diethylene glycol mono-n-hexyl ether; Diethylene glycol monohexyl ether; 2-(2-己基氧乙氧基)乙醇; 己基卡必醇; 二乙二醇单己醚; 二乙二醇单正己醚

Database IDs

• CAS Number: 112-59-4
• EC Number: 203-988-3
• MDL Number: MFCD00010703
• Beilstein Number: 1743959
• PubChem SID: 162241082; 24859337; 24858081; 24868475
• PubChem CID: 8199

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6005082
• LogD (pH = 7.4): 1.6005082
• Log P: 1.6005082
• Molar Refractivity: 53.4239 cm^3
• Polarizability: 21.156517 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -40 °C(lit.); -40°C
• Boiling Point: 259-261°C; 260 °C(lit.); 261-265 °C(lit.)
• Flash Point: 123°C(253°F); 140 °C; 284 °F
• Density: 0.932; 0.932 g/mL at 20 °C(lit.); 0.935 g/mL at 25 °C(lit.)
• Refractive Index: 1.4370; n20/D 1.438; n20/D 1.4381(lit.)

Safety Information

• RTECS: KL2625000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 21-41
• Safety Statements: 2-26-36/37/39-46; 26-36/37/39-46
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H318; H318-H312
• GHS Precautionary statements: P280-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P310-P322-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); ≥98.0% (GC); 95%; 97%
• Grade: purum
• Description: non-ionic
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cr: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Mg: ≤50 mg/kg; Mn: ≤50 mg/kg; Na: ≤50 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Linear Formula: CH3(CH2)5OCH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 300284

Packaging
25 mL in glass bottle
3 L in glass bottle

Sigma Aldrich - 449393

Packaging
1, 4 L in poly bottle
18 L in poly drum