2-[bis(propan-2-yloxy)methoxy]propane

• ChemBase ID: 150707
• Molecular Formular: C10H22O3
• Molecular Mass: 190.27988
• Monoisotopic Mass: 190.15689456
• SMILES: CC(C)OC(OC(C)C)OC(C)C
• Canonical SMILES: CC(OC(OC(C)C)OC(C)C)C
• InChI: InChI=1S/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3
• InChIKey: FPIVAWNGRDHRSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(propan-2-yloxy)methoxy]propane
• IUPAC Traditional name: 2-(diisopropoxymethoxy)propane
• Synonyms: Triisopropyl orthoformate; 原甲酸三异丙酯

Database IDs

• CAS Number: 4447-60-3
• EC Number: 224-688-9
• MDL Number: MFCD00060628
• Beilstein Number: 1700668
• PubChem SID: 24865978; 162244868
• PubChem CID: 78191

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0635905
• LogD (pH = 7.4): 3.0635905
• Log P: 3.0635905
• Molar Refractivity: 52.8406 cm^3
• Polarizability: 21.228058 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64-65°C/18mm; 65-66 °C/18 mmHg(lit.)
• Flash Point: 107.6 °F; 42 °C; 42°C(108°F)
• Density: 0.854; 0.854 g/mL at 25 °C(lit.)
• Refractive Index: 1.3970; n20/D 1.397(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272; UN3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-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 3272 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH[OCH(CH3)2]3

DETAILS

Sigma Aldrich - 415146

Packaging
25, 100 mL in glass bottle