2-(2-chloroethoxy)ethan-1-ol

• ChemBase ID: 147729
• Molecular Formular: C4H9ClO2
• Molecular Mass: 124.56606
• Monoisotopic Mass: 124.02910721
• SMILES: C(COCCCl)O
• Canonical SMILES: OCCOCCCl
• InChI: InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2
• InChIKey: LECMBPWEOVZHKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethoxy)ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(2-chloroethoxy)-
• Synonyms: 2-(2-Chloroethoxy)ethanol; 1-Chloro-2-(ethoxydiphenylmethyl)benzene; Diethylene glycol monochlorohydrin; 2-(2-Chloroethoxy)ethanol; 2-(2-Hydroxyethoxy)ethyl chloride; Diethylene glycol monochlorohydrin; 2-氯乙氧基乙醇; 2-(2-氯乙氧基)乙醇; 2-氯乙氧基乙醇

Database IDs

• CAS Number: 717109-43-8; 628-89-7
• EC Number: 211-059-9
• MDL Number: MFCD00002870
• Beilstein Number: 506015
• PubChem SID: 24850014; 24859331; 162241913
• PubChem CID: 12361

CALCULATED PROPERTIES

• Acid pKa: 15.121239
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.098937266
• LogD (pH = 7.4): 0.09893726
• Log P: 0.098937266
• Molar Refractivity: 28.6481 cm^3
• Polarizability: 11.330316 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 185°C; 79-81 °C/5 mmHg(lit.)
• Flash Point: 194 °F; 90 °C; 90°C(194°F)
• Density: 1.18 g/mL at 25 °C(lit.); 1.180
• Refractive Index: 1.4535; n20/D 1.452(lit.); n20/D 1.454

Safety Information

• RTECS: KK1350000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-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: ≥98.0% (GC); 95+%; 99%
• Grade: purum
• Linear Formula: ClCH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 162965

Packaging
50, 250 g in glass bottle

Toronto Research Chemicals - C365745

1-Chloro-2-(ethoxydiphenylmethyl)benzene is an impurity of the antifungal agent Clotrimazole (C587400).