2-butoxyethan-1-ol

• ChemBase ID: 104987
• Molecular Formular: C6H14O2
• Molecular Mass: 118.17416
• Monoisotopic Mass: 118.09937969
• SMILES: CCCCOCCO
• Canonical SMILES: CCCCOCCO
• InChI: InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
• InChIKey: POAOYUHQDCAZBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxyethan-1-ol
• IUPAC Traditional name: butoxyethanol; 2-butoxyethanol
• Synonyms: butyl cellosolve; butyl glycol; ethylene glycol monobutyl ether; Dowanol; Bane-Clene; Eastman EB solvent; BH-33 industrial cleaner; 2-Butoxyethanol; Butyl Cellosolve®; Ethylene glycol butyl ether; Ethylene glycol mono-n-butyl ether; 2-n-Butoxyethanol; EB Solvent; Butyltriglycol; Triethylene glycol monobutyl ether; 2-Butoxyethanol; ETHYLENE GLYCOL MONOBUTYL ETHER; 2-丁氧基乙醇; 丁基溶纤剂; 丁基溶纤剂®; 乙二醇丁醚; 2-正丁氧基乙醇; 乙二醇单丁醚; 三甘醇单丁醚; 三乙二醇单丁醚

Database IDs

• CAS Number: 111-76-2; 143-22-6
• EC Number: 205-592-6; 203-905-0
• MDL Number: MFCD00020606; MFCD00002884
• Beilstein Number: 1732511; 1750600
• Merck Index: 141559
• PubChem SID: 24852083; 24878233; 24855520; 24847605; 162092081; 24889366; 24877770
• PubChem CID: 8133
• Chemspider ID: 7841
• Unique Ingredient Identifier: I0P9XEZ9WV
• Wikipedia Title: 2-Butoxyethanol

CALCULATED PROPERTIES

• Acid pKa: 15.12132
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.75834644
• LogD (pH = 7.4): 0.75834644
• Log P: 0.75834644
• Molar Refractivity: 33.1784 cm^3
• Polarizability: 13.096364 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Clear, colourless liquid; liquid
• Melting Point: 68 - 70°C; -70 °C; -75 °C(lit.); -77°C; -79°C
• Boiling Point: 167 - 173 °C at 1013 hPa; 169-172.5 °C(lit.); 171°C; 171-173°C; 265-350 °C(lit.)
• Flash Point: 144 °C; 152.6 °F; 291.2 °F; 62 °C (closed cup); 64°C(147°F); 67 °C; 67°C (152.6°F)
• Auto Ignition Point: 230 °C (DIN 51794); 245 °C; 473 °F
• Density: .899 - .904 g/cm^3 at 20 °C; 0.90 g/cm3, liquid; 0.902; 0.902 g/mL at 25 °C(lit.); 0.990 g/mL at 20 °C(lit.)
• Refractive Index: 1.4190; n20/D 1.419; n20/D 1.419(lit.); n20/D 1.420; n20/D 1.441
• Vapor Pressure: .79 - 1.3 hPa at 20 °C; <1 mmHg ( 20 °C); 10 mmHg ( 81 °C)
• Vapor Density: 4.1 (air = 1); 4.1 (vs air)
• Absorption Wavelength: λ: 230 nm Amax: 1.0; λ: 235 nm Amax: 2.0; λ: 250 nm Amax: 0.10; λ: 265 nm Amax: 0.2; λ: 275 nm Amax: 0.05; λ: 300 nm Amax: 0.05; λ: 300-400 nm Amax: 0.01
• Hydrophobicity(logP): 0.841
• pKa: high pK_a for -OH group
• Viscosity: 2.9 cP at 25°C (77°F)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: KJ8575000; KJ9450000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 1986; UN2810
• German water hazard class: 1; 3
• Hazard Class: 3; 6.1
• Packing Group: III
• Australian Hazchem: 3WE
• Risk Statements: 20/21/22-36/38; 41; R:20/21/22-37; R20/21/22, R36/38
• Safety Statements: 26-39-46; 36/37-46; S:24/25; S2, S36/37, S46
• EU Classification: FT1
• EU Hazard Identification Number: 6.1A
• Emergency Response Guidebook(ERG) Number: 131
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  2

  2

  0
• Explode Limits: 10.6 %
• GHS Hazard statements: H302-H312-H315-H319-H332; H302-H312-H332-H315-H319-H227; H318
• GHS Precautionary statements: P280H-P301+P310-P315; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ~70% (GC); ≥98.0% (GC); ≥99% (GC); ≥99.0%; ≥99.5%; ≥99.8% (GC); 95%; 99%
• Grade: analytical standard; for HPLC-GC; purum; SAJ first grade; spectrophotometric grade; technical
• Suitability: corresponds for HPLC
• Evaporation Residue: <0.001%
• Impurities: ≤0.05% water; ≤0.1% water; ≤0.2% water (Karl Fischer)
• Shelf Life: (limited shelf life, expiry date on the label)
• λ: 1 cm path, H2O reference; H2O reference
• Linear Formula: CH3(CH2)3(OCH2CH2)3OH; CH3(CH2)3OCH2CH2OH

DETAILS

MP Biomedicals - 02157985

(2-Butoxyethanol)

Sigma Aldrich - 579556

Packaging
1, 4 L in glass bottle
Legal Information
Manufactured by Dow Chemical Company
Cellosolve is a registered trademark of Union Carbide

Sigma Aldrich - 90440

Packaging
1 L in glass bottle

Sigma Aldrich - 24215

Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 537551

Packaging
1, 4 L in poly bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 20398

Other Notes
Specially purified solvent suitable for use in co-solvent trapping, a new technique for the gas-chromatographic analysis of aqueous samples1

Sigma Aldrich - 256366

Packaging
1, 2 L in glass bottle