2-(propan-2-yloxy)propane

• ChemBase ID: 87361
• Molecular Formular: C6H14O
• Molecular Mass: 102.17476
• Monoisotopic Mass: 102.10446507
• SMILES: O(C(C)C)C(C)C
• Canonical SMILES: CC(OC(C)C)C
• InChI: InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
• InChIKey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)propane
• IUPAC Traditional name: diisopropyl ether
• Synonyms: 2,2'-Oxydipropane; 2-(Isopropyloxy)propane; Diisopropyl ether 98+%; Diisopropyl ether; Isopropyl ether; Diisopropyl ether; ISOPROPYL ETHER, ACS GRADE; 异丙醚; 二异丙基醚

Database IDs

• CAS Number: 108-20-3
• EC Number: 203-560-6
• MDL Number: MFCD00008880
• Beilstein Number: 1731256
• PubChem SID: 24864734; 162074466; 24850682; 24857883; 24867933; 24863909; 24890109; 24863910; 24885179
• PubChem CID: 7914
• Chemspider ID: 7626
• Wikipedia Title: Diisopropyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6713154
• LogD (pH = 7.4): 1.6713154
• Log P: 1.6713154
• Molar Refractivity: 31.3473 cm^3
• Polarizability: 12.476034 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: APHA: ≤25
• Melting Point: -60°C; -85 °C(lit.)
• Boiling Point: 65-69°C; 68.5°C; 68-69 °C(lit.)
• Flash Point: -20.2 °F; -28°C (-18.4°F); -29 °C; -29°C
• Auto Ignition Point: 443°C (829.4°F); 827 °F
• Density: 0.724 g/mL at 20 °C; 0.725; 0.725 g/ml; 0.725 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.3660-1.3700; n20/D 1.367; n20/D 1.367(lit.); n20/D 1.368
• Vapor Pressure: 120 mmHg ( 20 °C)
• Vapor Density: 3.5 (vs air)

Safety Information

• Storage Warning: Highly Flammable
• RTECS: TZ5425000
• European Hazard Symbols: Flammable (F)
• UN Number: 1159
• German water hazard class: 1; 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-66-67; R11, R19, R66, R67
• Safety Statements: 16; 9-16-29-33; S2, S9, S16, S29, S33
• EU Index: 603-045-00-X
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  3

  1

  1
• Explode Limits: 1.4–7.9%; 1-21 %, 100 °F
• GHS Hazard statements: H225-H336
• GHS Precautionary statements: P210-P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1159 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: ≥98.0% (GC); ≥98.5% (GC); ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.7% (GC); 99%
• Grade: ACS; ACS reagent; analytical standard; anhydrous; JIS special grade; puriss.; puriss. p.a.; purum; ReagentPlus®; SAJ first grade
• Packaging: ampule of 1000 mg
• Evaporation Residue: ≤0.002%; ≤0.01%
• Impurities: <0.002% water; <0.005% water(100 mL pkg); ≤0.0007 meq/g Titr. acid; ≤0.001% non-volatile matter; ≤0.001% peroxides (as H2O2); ≤0.005% free acid (as C2H5COOH); ≤0.01% water (Karl Fischer); ≤0.05% free acid (as C2H5COOH); ≤0.05% Peroxide (as C6H14O2); ≤0.05% peroxide(as C6H14O2); ≤0.1% water; ≤0.5% isopropanol (GC)
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 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; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Contains: ~0.001% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~0.006% 2,6-di-tert-butyl-4-methylphenol as stabilizer; either BHT or hydroquinone as stabilizer; stabilizer
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: dried over Na/Pb alloy (H2O ≤0.01%)
• Linear Formula: (CH3)2CHOCH(CH3)2

DETAILS

Apollo Scientific Ltd - OR30780

Stabilised with 100 ppm BHT

Sigma Aldrich - 673803

Packaging
1, 6×1, 4, 4×4 L in aluminum bottle

Sigma Aldrich - 185302

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

Sigma Aldrich - 296856

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

Sigma Aldrich - 398276

Packaging
1, 6×1, 4×4 L in glass bottle
20 L in steel drum
500 mL in glass bottle