1-(dipropoxymethoxy)propane

• ChemBase ID: 146111
• Molecular Formular: C10H22O3
• Molecular Mass: 190.27988
• Monoisotopic Mass: 190.15689456
• SMILES: CCCOC(OCCC)OCCC
• Canonical SMILES: CCCOC(OCCC)OCCC
• InChI: InChI=1S/C10H22O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h10H,4-9H2,1-3H3
• InChIKey: RWNXXQFJBALKAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dipropoxymethoxy)propane
• IUPAC Traditional name: 1-dipropoxymethoxy-propane
• Synonyms: Tripropyl orthoformate; n-Propyl orthoformate; Tri-n-propyl orthoformate; 原甲酸三丙酯; 原甲酸三正丙酯

Database IDs

• CAS Number: 621-76-1
• EC Number: 210-704-1
• MDL Number: MFCD00015214
• Beilstein Number: 1744249
• PubChem SID: 162240310; 24860123; 24886843
• PubChem CID: 69311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3814325
• LogD (pH = 7.4): 3.3814325
• Log P: 3.3814325
• Molar Refractivity: 53.1562 cm^3
• Polarizability: 21.228058 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106-108 °C/40 mmHg(lit.); 106-108°C/40mm
• Flash Point: 161.6 °F; 72 °C; 72°C(161°F)
• Density: 0.883 g/mL at 25 °C(lit.); 0.886
• Refractive Index: 1.4070; n20/D 1.407; n20/D 1.407(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H315-H319-H335
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P261-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: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: CH(OCH2CH2CH3)3

DETAILS

Sigma Aldrich - 333344

Packaging
25, 100 mL in glass bottle