1-butoxybutane

• ChemBase ID: 92722
• Molecular Formular: C8H18O
• Molecular Mass: 130.22792
• Monoisotopic Mass: 130.1357652
• SMILES: O(CCCC)CCCC
• Canonical SMILES: CCCCOCCCC
• InChI: InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
• InChIKey: DURPTKYDGMDSBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butoxybutane
• IUPAC Traditional name: di-N-butyl ether
• Synonyms: DBE CDR-grade; n-Butyl ether; Di-n-butyl ether; 5-Oxanonane; Di(but-1-yl) ether; DBE; Butyl ether; Dibutyl ether; DBE CDR-级别; 二正丁醚; 丁醚; 二丁醚

Database IDs

• CAS Number: 142-96-1
• EC Number: 205-575-3
• MDL Number: MFCD00009461
• Beilstein Number: 1732752
• Merck Index: 141569
• PubChem SID: 162079420; 24856439; 24846891; 24887523; 24846975; 24861268
• PubChem CID: 8909

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7723475
• LogD (pH = 7.4): 2.7723475
• Log P: 2.7723475
• Molar Refractivity: 40.7597 cm^3
• Polarizability: 16.166618 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -95°C; -98 °C(lit.); -98°C
• Boiling Point: 141-143°C; 142-143 °C(lit.); 142-143°C
• Flash Point: 25 °C; 25°C; 25°C(77°F); 77 °F
• Auto Ignition Point: 365 °F
• Density: 0.764; 0.764 g/mL at 25 °C(lit.)
• Refractive Index: 1.399; 1.3990; n20/D 1.399; n20/D 1.399(lit.)
• Vapor Pressure: 4.8 mmHg ( 20 °C)
• Vapor Density: 4.48 (vs air)

Safety Information

• Storage Warning: Flammable/Irritant/Air Sensitive/Light Sensitive/Store under Argon
• RTECS: EK5425000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1149; UN1149
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38-52/53
• Safety Statements: 61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• Explode Limits: 8.5 %
• GHS Hazard statements: H226-H315-H319-H335-H303-H402-H412; H226-H315-H319-H335-H412
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1149 3/PG 3

Product Information

• Purity: ≥99%; ≥99.0% (GC); ≥99.3% (GC); ≥99.5% (GC); 99%; 99.3%
• Grade: anhydrous; produced by Wacker; puriss. p.a.; purum; ReagentPlus®
• Evaporation Residue: <0.0005%; ≤0.002%
• Impurities: <0.003% water; <0.005% water(100 mL pkg); ≤0.002% peroxides (as H2O2); ≤0.05% aromatic compounds (as xylene)
• Cation Traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Quality: low in aromatic compounds
• Linear Formula: [CH3(CH2)3]2O

DETAILS

Sigma Aldrich - 10917

Other Notes
prices for bulk quantities on request

Sigma Aldrich - 80103

Other Notes
prices for bulk quantities on request
Packaging
1 kg in poly bottle

Sigma Aldrich - 110280

Packaging
1 L in glass bottle
20, 200 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 271454

Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™