(diethoxymethoxy)ethene

• ChemBase ID: 143721
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: CCOC(OCC)OC=C
• Canonical SMILES: CCOC(OC=C)OCC
• InChI: InChI=1S/C7H14O3/c1-4-8-7(9-5-2)10-6-3/h4,7H,1,5-6H2,2-3H3
• InChIKey: AOYJISNQMSDAHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethoxymethoxy)ethene
• IUPAC Traditional name: (diethoxymethoxy)ethene
• Synonyms: (Diethoxymethoxy)ethene; Diethyl vinyl orthoformate; （甲氧基乙氧基）乙烯; 二乙基乙烯基原甲酸

Database IDs

• CAS Number: 34712-46-4
• MDL Number: MFCD18252685
• PubChem SID: 162237938
• PubChem CID: 71311029

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9617319
• LogD (pH = 7.4): 1.9617319
• Log P: 1.9617319
• Molar Refractivity: 38.5278 cm^3
• Polarizability: 15.473923 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 17 °C; 62.6 °F
• Density: 0.822 g/mL at 25 °C
• Refractive Index: n20/D 1.401

Safety Information

• European Hazard Symbols: Flammable (F)
• German water hazard class: 1
• Risk Statements: 11
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H14O3

DETAILS

Sigma Aldrich - 736538

Packaging
5 g in glass bottle