2-(2-butoxyethoxy)ethan-1-ol

• ChemBase ID: 148164
• Molecular Formular: C8H18O3
• Molecular Mass: 162.22672
• Monoisotopic Mass: 162.12559444
• SMILES: CCCCOCCOCCO
• Canonical SMILES: CCCCOCCOCCO
• InChI: InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
• InChIKey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-butoxyethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-butoxyethoxy)ethanol
• Synonyms: BDG; 2-(2-Butoxyethoxy)ethanol; Butyldiglycol; DB Solvent; Diethylene glycol butyl ether; Diethylene glycol monobutyl ether; 2-(n-Butoxyethoxy)ethanol; Diethylene glycol mono-n-butyl ether; Butyl CARBITOL™; 2-(2-丁氧基乙氧基)乙醇; DB 溶剂; 二乙二醇单丁醚; 二乙二醇丁醚; 丁基卡必醇; 二乙二醇单丁醚; 二乙二醇单正丁醚

Database IDs

• CAS Number: 112-34-5
• EC Number: 203-961-6
• MDL Number: MFCD00002881
• Beilstein Number: 1739225
• Merck Index: 141557
• PubChem SID: 24881024; 24859320; 24878239; 162242341; 24845451
• PubChem CID: 8177

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71137094
• LogD (pH = 7.4): 0.71137094
• Log P: 0.71137094
• Molar Refractivity: 44.2219 cm^3
• Polarizability: 17.48389 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -68 °C(lit.); -68°C
• Boiling Point: 224-228 °C(lit.); 230-232°C; 231 °C; 231 °C(lit.)
• Flash Point: 100°C(212°F); 210.2 °F; 99 °C
• Auto Ignition Point: 400 °F
• Density: 0.953 g/mL at 20 °C(lit.); 0.967; 0.967 g/mL at 25 °C(lit.)
• Refractive Index: 1.4320; n20/D 1.431-1.433; n20/D 1.432; n20/D 1.432(lit.)
• Vapor Pressure: 30 mmHg ( 130 °C)
• Vapor Density: 5.6 (vs air)

Safety Information

• RTECS: KJ9100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36
• Safety Statements: 2-24-26; 24-26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 6.2 %
• GHS Hazard statements: H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P337+P313; 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); ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.2%; 99%
• Grade: for surfactant analysis; SAJ special grade
• Impurities: ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% water
• Linear Formula: CH3(CH2)3OCH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 537640

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

Sigma Aldrich - 579963

Packaging
1, 4 L in poly bottle
18 L in steel drum
Legal Information
Product of Dow Chemical
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 32250

Packaging
1, 2.5 L in glass bottle