1-[2-(2-butoxyethoxy)ethoxy]butane

• ChemBase ID: 146523
• Molecular Formular: C12H26O3
• Molecular Mass: 218.33304
• Monoisotopic Mass: 218.18819469
• SMILES: CCCCOCCOCCOCCCC
• Canonical SMILES: CCCCOCCOCCOCCCC
• InChI: InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
• InChIKey: KZVBBTZJMSWGTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-butoxyethoxy)ethoxy]butane
• IUPAC Traditional name: 1-[2-(2-butoxyethoxy)ethoxy]butane
• Synonyms: Dibutyl carbitol; Butyl diglyme; 2-Butoxyethyl ether; Bis(2-butoxyethyl) ether; Dibutyldiglycol; Diethylene glycol dibutyl ether; 2-丁氧基乙基醚; 二丁基卡必醇; 双(2-丁氧基乙基)醚; 二乙二醇二丁醚

Database IDs

• CAS Number: 112-73-2
• EC Number: 204-001-9
• MDL Number: MFCD00009459
• Beilstein Number: 1750713
• PubChem SID: 162240718; 24852213
• PubChem CID: 8210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6783965
• LogD (pH = 7.4): 2.6783965
• Log P: 2.6783965
• Molar Refractivity: 62.8467 cm^3
• Polarizability: 24.907011 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -60 °C(lit.); -60°C
• Boiling Point: 256 °C(lit.); 256°C
• Flash Point: 117°C(243°F); 118 °C; 244.4 °F
• Density: 0.885; 0.885 g/mL at 25 °C(lit.)
• Refractive Index: 1.4235; n20/D 1.423; n20/D 1.423(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: KN0350000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H303-H313
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥98.0% (GC); ≥99%; 99+%
• Grade: purum
• Linear Formula: (CH3CH2CH2CH2OCH2CH2)2O

DETAILS

Sigma Aldrich - 205621

Packaging
1 L in glass bottle
100, 500 mL in glass bottle