1,1,3,3-tetraethoxypropane

• ChemBase ID: 104681
• Molecular Formular: C11H24O4
• Molecular Mass: 220.30586
• Monoisotopic Mass: 220.16745925
• SMILES: CCOC(CC(OCC)OCC)OCC
• Canonical SMILES: CCOC(CC(OCC)OCC)OCC
• InChI: InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3
• InChIKey: KVJHGPAAOUGYJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetraethoxypropane
• IUPAC Traditional name: 1,1,3,3-tetraethoxypropane
• Synonyms: MALONALDEHYDE TETRAETHYLACETAL; Malonaldehyde tetraethyl acetal; 1,1,3,3-TETRAETHOXYPROPANE; TEP; Malonaldehyde bis(diethyl acetal); 1,1,3,3-Tetraethoxypropane; 丙二醛二乙缩醛; 1,1,3,3-四乙氧基丙烷

Database IDs

• CAS Number: 122-31-6
• EC Number: 204-533-1
• MDL Number: MFCD00009240
• Beilstein Number: 1209619
• PubChem SID: 162093092; 24888696; 24900611
• PubChem CID: 67147

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7589407
• LogD (pH = 7.4): 1.7589407
• Log P: 1.7589407
• Molar Refractivity: 59.0644 cm^3
• Polarizability: 23.777866 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C; -90°C
• Boiling Point: 216°C; 220 °C(lit.)
• Flash Point: 190.4 °F; 88 °C
• Density: 0.919 g/ml; 0.919 g/mL at 25 °C(lit.); 0.92 g/ml
• Refractive Index: n20/D 1.411; n20/D 1.411(lit.)
• Hydrophobicity(logP): 0.643

Safety Information

• Storage Condition: 2-8°C
• RTECS: ON8750000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:10-22; R:22
• Safety Statements: S:16-36/37/39; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); ≥96%; 95%; 97%
• Grade: purum
• Linear Formula: (C2H5O)2CHCH2CH(OC2H5)2

DETAILS

MP Biomedicals - 05201148

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156783

Purity: 97%
1 ml = approx. 0.92 g

Sigma Aldrich - T9889

Packaging
25, 100, 500 mL in glass bottle